[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H13ClN2O3S MolecularWeight: 384.83612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN2O3S/c20-17-14-3-1-2-4-15(14)26-18(17)19(24)25-11-16(23)22-13-7-5-12(6-8-13)9-10-21/h1-8H,9,11H2,(H,22,23)