2-(2,2-diphenylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(2,2-diphenylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(2,2-diphenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[(1-oxo-2,2-diphenylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(2,2-diphenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(2,2-diphenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H21NO3S/c25-21(19(15-9-3-1-4-10-15)16-11-5-2-6-12-16)24-22-20(23(26)27)17-13-7-8-14-18(17)28-22/h1-6,9-12,19H,7-8,13-14H2,(H,24,25)(H,26,27)