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

Systemtic Name: methyl 3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]amino]benzoate CAS Name: 3-[[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]amino]benzoate Traditional Name: 3-[[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S2/c1-11-10-28-19(20-11)29-16-7-6-12(9-15(16)22(25)26)17(23)21-14-5-3-4-13(8-14)18(24)27-2/h3-10H,1-2H3,(H,21,23)