bismuth; 3-[3-(dimethylaminomethyl)-4-methyl-furan-2-yl]oxycarbonyl-5-methoxy-3-oxidanyl-5-oxidanylidene-pentanoate; (Z)-N-methyl-2-nitro-1-thionitroso-but-1-en-1-amine

Systemtic Name: bismuth; 3-[3-(dimethylaminomethyl)-4-methyl-furan-2-yl]oxycarbonyl-5-methoxy-3-oxidanyl-5-oxidanylidene-pentanoate; (Z)-N-methyl-2-nitro-1-thionitroso-but-1-en-1-amine Openeye Name: bismuth; 3-[[3-(dimethylaminomethyl)-4-methyl-2-furyl]oxycarbonyl]-3-hydroxy-5-methoxy-5-oxo-pentanoate; (Z)-N-methyl-2-nitro-1-thionitroso-but-1-en-1-amine CAS Name: bismuth; 3-[[3-(dimethylaminomethyl)-4-methyl-2-furanyl]oxy-oxomethyl]-3-hydroxy-5-methoxy-5-oxopentanoate; (Z)-N-methyl-2-nitro-1-thionitroso-1-buten-1-amine IUPAC Name: bismuth; 3-[3-(dimethylaminomethyl)-4-methylfuran-2-yl]oxycarbonyl-3-hydroxy-5-methoxy-5-oxopentanoate; (Z)-N-methyl-2-nitro-1-thionitrosobut-1-en-1-amine Traditional Name: bismuth; 3-[[3-(dimethylaminomethyl)-4-methyl-2-furyl]oxycarbonyl]-3-hydroxy-5-keto-5-methoxy-valerate; methyl-[(Z)-2-nitro-1-thionitroso-but-1-enyl]amine Formula: C60H87BiN12O30S3 MolecularWeight: 1761.57056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(NC)N=S)[N+](=O)[O-].CCC(=C(NC)N=S)[N+](=O)[O-].CCC(=C(NC)N=S)[N+](=O)[O-].CC1=COC(=C1CN(C)C)OC(=O)C(CC(=O)[O-])(CC(=O)OC)O.CC1=COC(=C1CN(C)C)OC(=O)C(CC(=O)[O-])(CC(=O)OC)O.CC1=COC(=C1CN(C)C)OC(=O)C(CC(=O)[O-])(CC(=O)OC)O.[Bi+3]

Isomeric SMILES

CC/C(=C(/N=S)\NC)/[N+](=O)[O-].CC/C(=C(/N=S)\NC)/[N+](=O)[O-].CC/C(=C(/N=S)\NC)/[N+](=O)[O-].CC1=COC(=C1CN(C)C)OC(=O)C(O)(CC(=O)OC)CC(=O)[O-].CC1=COC(=C1CN(C)C)OC(=O)C(O)(CC(=O)OC)CC(=O)[O-].CC1=COC(=C1CN(C)C)OC(=O)C(O)(CC(=O)OC)CC(=O)[O-].[Bi+3]

InChI

InChI=1S/3C15H21NO8.3C5H9N3O2S.Bi/c3*1-9-8-23-13(10(9)7-16(2)3)24-14(20)15(21,5-11(17)18)6-12(19)22-4;3*1-3-4(8(9)10)5(6-2)7-11;/h3*8,21H,5-7H2,1-4H3,(H,17,18);3*6H,3H2,1-2H3;/q;;;;;;+3/p-3/b;;;3*5-4-;