[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 5-[(2-methyl-2-nitrososulfanyl-propyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 5-[(2-methyl-2-nitrososulfanyl-propyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 5-[(2-methyl-2-nitrososulfanyl-propyl)amino]-5-oxo-pentanoate CAS Name: 5-[[2-methyl-2-(nitrosothio)propyl]amino]-5-oxopentanoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 5-[(2-methyl-2-nitrososulfanylpropyl)amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[2-methyl-2-(nitrosothio)propyl]amino]valeric acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C23H37N3O5S MolecularWeight: 467.62198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)CCCC(=O)NCC(C)(C)SN=O)C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)CCCC(=O)NCC(C)(C)SN=O)C(C)C)OCCN(C)C

InChI

InChI=1S/C23H37N3O5S/c1-16(2)18-14-19(17(3)13-20(18)30-12-11-26(6)7)31-22(28)10-8-9-21(27)24-15-23(4,5)32-25-29/h13-14,16H,8-12,15H2,1-7H3,(H,24,27)