methyl 4-[[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate Openeye Name: methyl 4-[[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate CAS Name: 4-[[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoate Traditional Name: 4-[[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)amino]carbamoyl]benzoic acid methyl ester Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)NNC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)NNC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H14ClN3O4S/c1-24-12-8-7-11(18)14-13(12)19-17(26-14)21-20-15(22)9-3-5-10(6-4-9)16(23)25-2/h3-8H,1-2H3,(H,19,21)(H,20,22)