[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H11ClN2O3S MolecularWeight: 370.80954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C18H11ClN2O3S/c19-16-13-6-1-2-7-14(13)25-17(16)18(23)24-10-15(22)21-12-5-3-4-11(8-12)9-20/h1-8H,10H2,(H,21,22)