[2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [2-keto-2-[(2-keto-2-methoxy-ethyl)amino]ethyl] ester Formula: C16H15N3O7S2 MolecularWeight: 425.4362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S2/c1-9-8-27-16(18-9)28-12-4-3-10(5-11(12)19(23)24)15(22)26-7-13(20)17-6-14(21)25-2/h3-5,8H,6-7H2,1-2H3,(H,17,20)