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

Systemtic Name: propan-2-yl (4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isopropyl (4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(1,3-benzodioxol-5-yl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isopropyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C25H25NO5S/c1-13(2)31-25(28)22-14(3)26-17-9-16(21-5-4-8-32-21)10-18(27)24(17)23(22)15-6-7-19-20(11-15)30-12-29-19/h4-8,11,13,16,22-23H,9-10,12H2,1-3H3/t16-,22?,23-/m1/s1