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

Systemtic Name: (4S)-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-2-methyl-5-oxidanylidene-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Openeye Name: (4S)-4-(5-ethyl-2-ethylsulfanyl-3-thienyl)-2-methyl-5-oxo-N-(3-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide CAS Name: (4S)-4-[5-ethyl-2-(ethylthio)-3-thiophenyl]-2-methyl-5-oxo-N-(3-pyridinyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide IUPAC Name: (4S)-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Traditional Name: (4S)-4-[5-ethyl-2-(ethylthio)-3-thienyl]-5-keto-2-methyl-N-(3-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)SCC)C2C3C(=NC(=C2C(=O)NC4=CN=CC=C4)C)CCCC3=O

Isomeric SMILES

CCC1=CC(=C(S1)SCC)[C@H]2C3C(=NC(=C2C(=O)NC4=CN=CC=C4)C)CCCC3=O

InChI

InChI=1S/C24H27N3O2S2/c1-4-16-12-17(24(31-16)30-5-2)21-20(23(29)27-15-8-7-11-25-13-15)14(3)26-18-9-6-10-19(28)22(18)21/h7-8,11-13,21-22H,4-6,9-10H2,1-3H3,(H,27,29)/t21-,22?/m1/s1