[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C17H10ClN3O3S MolecularWeight: 371.7976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N)SC=N2

InChI

InChI=1S/C17H10ClN3O3S/c18-12-3-1-11(7-19)14(6-12)21-16(22)8-24-17(23)10-2-4-13-15(5-10)25-9-20-13/h1-6,9H,8H2,(H,21,22)