ethyl 2-[2-(3-acetamidophenyl)sulfanylethanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylethanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxoethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]acetyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H28N2O4S2 MolecularWeight: 508.65222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CSC4=CC=CC(=C4)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CSC4=CC=CC(=C4)NC(=O)C

InChI

InChI=1S/C27H28N2O4S2/c1-3-33-27(32)25-22-13-12-19(18-8-5-4-6-9-18)14-23(22)35-26(25)29-24(31)16-34-21-11-7-10-20(15-21)28-17(2)30/h4-11,15,19H,3,12-14,16H2,1-2H3,(H,28,30)(H,29,31)