ethyl 2-(2,2-diphenylethanoylamino)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,2-diphenylethanoylamino)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2,2-diphenylacetyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4-methyl-2-[(1-oxo-2,2-diphenylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,2-diphenylacetyl)amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2,2-diphenylacetyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO3S/c1-3-30-26(29)23-21-17(2)11-10-16-20(21)31-25(23)27-24(28)22(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,17,22H,3,10-11,16H2,1-2H3,(H,27,28)