[2-[(2-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [2-[(2-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [2-[(2-methoxybenzoyl)amino]-2-oxo-ethyl] 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [2-[[(2-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid [2-keto-2-(o-anisoylamino)ethyl] ester Formula: C21H17N3O7S2 MolecularWeight: 487.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H17N3O7S2/c1-12-11-32-21(22-12)33-17-8-7-13(24(28)29)9-15(17)20(27)31-10-18(25)23-19(26)14-5-3-4-6-16(14)30-2/h3-9,11H,10H2,1-2H3,(H,23,25,26)