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

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-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-(3-methoxyphenyl)ethyl] ester Formula: C20H16N2O6S2 MolecularWeight: 444.48084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O6S2/c1-12-11-29-20(21-12)30-18-7-6-14(9-16(18)22(25)26)19(24)28-10-17(23)13-4-3-5-15(8-13)27-2/h3-9,11H,10H2,1-2H3