methyl (6S)-2-[(8-chloranyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-2-[(8-chloranyl-2-pyridin-2-yl-quinolin-4-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[[8-chloro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[[8-chloro-2-(2-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[(8-chloro-2-pyridin-2-ylquinoline-4-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[8-chloro-2-(2-pyridyl)quinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=N5

InChI

InChI=1S/C27H24ClN3O3S/c1-3-15-10-11-17-22(13-15)35-26(23(17)27(33)34-2)31-25(32)18-14-21(20-9-4-5-12-29-20)30-24-16(18)7-6-8-19(24)28/h4-9,12,14-15H,3,10-11,13H2,1-2H3,(H,31,32)/t15-/m0/s1