[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C19H17ClN2O3S/c1-11-2-5-14-15(10-26-17(14)6-11)19(24)25-9-18(23)22-16-7-13(20)4-3-12(16)8-21/h3-4,7,10-11H,2,5-6,9H2,1H3,(H,22,23)