[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C20H19N3O6S3 MolecularWeight: 493.57636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S3/c1-13-3-5-14(6-4-13)20-22-15(12-31-20)11-29-19(24)10-21-32(27,28)16-7-8-18(30-2)17(9-16)23(25)26/h3-9,12,21H,10-11H2,1-2H3