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

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C19H12Cl2N2O4S MolecularWeight: 435.28058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N)Cl

InChI

InChI=1S/C19H12Cl2N2O4S/c1-26-12-4-5-13-15(7-12)28-18(17(13)21)19(25)27-9-16(24)23-14-6-11(20)3-2-10(14)8-22/h2-7H,9H2,1H3,(H,23,24)