methyl 4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H13N3O6S/c1-25-12-7-11(20(23)24)8-13-14(12)18-17(27-13)19-15(21)9-3-5-10(6-4-9)16(22)26-2/h3-8H,1-2H3,(H,18,19,21)