ethyl 2-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(4-methylphenyl)-1-adamantyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(p-tolyl)adamantane-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H35NO3S MolecularWeight: 477.6581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=C(C=C6)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=C(C=C6)C

InChI

InChI=1S/C29H35NO3S/c1-3-33-26(31)24-22-6-4-5-7-23(22)34-25(24)30-27(32)29-15-19-12-20(16-29)14-28(13-19,17-29)21-10-8-18(2)9-11-21/h8-11,19-20H,3-7,12-17H2,1-2H3,(H,30,32)