(4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

Systemtic Name: (4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide Openeye Name: (4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-N-(2-pyridyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide CAS Name: (4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-N-(2-pyridinyl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide IUPAC Name: (4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide Traditional Name: (4S,7R)-4-(1,3-benzodioxol-5-yl)-5-keto-2-methyl-N-(2-pyridyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)NC3=CC=CC=N3)C4=CC5=C(C=C4)OCO5)C(=O)CC(C2)C6=CC=CS6

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)NC3=CC=CC=N3)C4=CC5=C(C=C4)OCO5)C(=O)C[C@@H](C2)C6=CC=CS6

InChI

InChI=1S/C27H23N3O4S/c1-15-24(27(32)30-23-6-2-3-9-28-23)25(16-7-8-20-21(13-16)34-14-33-20)26-18(29-15)11-17(12-19(26)31)22-5-4-10-35-22/h2-10,13,17,24-25H,11-12,14H2,1H3,(H,28,30,32)/t17-,24?,25-/m1/s1