[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C23H27NO3S/c25-22(16-27-23(26)21-15-17-9-7-8-14-20(17)28-21)24(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1,3-4,10-11,15,19H,2,5-9,12-14,16H2