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

Systemtic Name: [2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(5-chloro-2-phenoxy-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-phenoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-phenoxyanilino)-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-phenoxy-anilino)-2-keto-ethyl] ester Formula: C24H22ClNO4S MolecularWeight: 455.95378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C24H22ClNO4S/c1-15-7-9-18-19(14-31-22(18)11-15)24(28)29-13-23(27)26-20-12-16(25)8-10-21(20)30-17-5-3-2-4-6-17/h2-6,8,10,12,14-15H,7,9,11,13H2,1H3,(H,26,27)