ethyl 6-methyl-2-[2-(4-methylcyclohexa-1,3-dien-1-yl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-(4-methylcyclohexa-1,3-dien-1-yl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[2-(4-methylcyclohexa-1,3-diene-1-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[(4-methyl-1-cyclohexa-1,3-dienyl)-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[2-(4-methylcyclohexa-1,3-diene-1-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[2-(4-methylcyclohexa-1,3-diene-1-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C3=CC=C(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C3=CC=C(CC3)C

InChI

InChI=1S/C23H29NO5S/c1-5-28-23(27)19-17-11-8-14(3)12-18(17)30-21(19)24-20(25)15(4)29-22(26)16-9-6-13(2)7-10-16/h6,9,14-15H,5,7-8,10-12H2,1-4H3,(H,24,25)