[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C21H20ClNO5S MolecularWeight: 433.9052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)OCC

InChI

InChI=1S/C21H20ClNO5S/c1-3-26-15-10-9-13(11-16(15)27-4-2)23-18(24)12-28-21(25)20-19(22)14-7-5-6-8-17(14)29-20/h5-11H,3-4,12H2,1-2H3,(H,23,24)