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

Systemtic Name: (4S,4aR)-2-methyl-4-(3-methylthiophen-2-yl)-5-oxidanylidene-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Openeye Name: (4S,4aR)-2-methyl-4-(3-methyl-2-thienyl)-5-oxo-N-(2-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide CAS Name: (4S,4aR)-2-methyl-4-(3-methyl-2-thiophenyl)-5-oxo-N-(2-pyridinyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide IUPAC Name: (4S,4aR)-2-methyl-4-(3-methylthiophen-2-yl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Traditional Name: (4S,4aR)-5-keto-2-methyl-4-(3-methyl-2-thienyl)-N-(2-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C3C(=NC(=C2C(=O)NC4=CC=CC=N4)C)CCCC3=O

Isomeric SMILES

CC1=C(SC=C1)[C@H]2[C@@H]3C(=NC(=C2C(=O)NC4=CC=CC=N4)C)CCCC3=O

InChI

InChI=1S/C21H21N3O2S/c1-12-9-11-27-20(12)19-17(21(26)24-16-8-3-4-10-22-16)13(2)23-14-6-5-7-15(25)18(14)19/h3-4,8-11,18-19H,5-7H2,1-2H3,(H,22,24,26)/t18-,19-/m1/s1