methyl 4-methyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]amino]benzoate CAS Name: 4-methyl-3-[[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-methyl-3-[[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S2/c1-11-4-5-14(19(25)28-3)8-15(11)22-18(24)13-6-7-17(16(9-13)23(26)27)30-20-21-12(2)10-29-20/h4-10H,1-3H3,(H,22,24)