methyl (6S)-6-ethyl-2-[(6-methyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-6-ethyl-2-[(6-methyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-6-ethyl-2-[[6-methyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-ethyl-2-[[[6-methyl-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-ethyl-2-[(6-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-ethyl-2-[[6-methyl-2-(3-pyridyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CN=CC=C5

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CN=CC=C5

InChI

InChI=1S/C28H27N3O3S/c1-4-17-8-9-19-24(13-17)35-27(25(19)28(33)34-3)31-26(32)21-14-23(18-6-5-11-29-15-18)30-22-10-7-16(2)12-20(21)22/h5-7,10-12,14-15,17H,4,8-9,13H2,1-3H3,(H,31,32)/t17-/m0/s1