methyl 2-[(5-chloranyl-2-methoxy-phenyl)carbamoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(5-chloranyl-2-methoxy-phenyl)carbamoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(5-chloro-2-methoxy-phenyl)carbamoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(5-chloro-2-methoxyanilino)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-chloro-2-methoxy-phenyl)carbamoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H14ClN3O4S/c1-24-13-6-4-10(18)8-12(13)19-16(23)21-17-20-11-5-3-9(15(22)25-2)7-14(11)26-17/h3-8H,1-2H3,(H2,19,20,21,23)