[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(=O)C3=CC=CN3C

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC(=O)C3=CC=CN3C

InChI

InChI=1S/C18H20N2O4S/c1-11-5-6-14-12(8-11)9-15(25-14)18(23)24-10-16(21)19-17(22)13-4-3-7-20(13)2/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,19,21,22)/t11-/m0/s1