(4S)-2-methyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

Systemtic Name: (4S)-2-methyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Openeye Name: (4S)-2-methyl-4-(5-methyl-2-methylsulfanyl-3-thienyl)-5-oxo-N-(2-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide CAS Name: (4S)-2-methyl-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-N-(2-pyridinyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide IUPAC Name: (4S)-2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Traditional Name: (4S)-5-keto-2-methyl-4-[5-methyl-2-(methylthio)-3-thienyl]-N-(2-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)SC)C2C3C(=NC(=C2C(=O)NC4=CC=CC=N4)C)CCCC3=O

Isomeric SMILES

CC1=CC(=C(S1)SC)[C@H]2C3C(=NC(=C2C(=O)NC4=CC=CC=N4)C)CCCC3=O

InChI

InChI=1S/C22H23N3O2S2/c1-12-11-14(22(28-3)29-12)19-18(21(27)25-17-9-4-5-10-23-17)13(2)24-15-7-6-8-16(26)20(15)19/h4-5,9-11,19-20H,6-8H2,1-3H3,(H,23,25,27)/t19-,20?/m1/s1