propan-2-yl 2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: propan-2-yl 2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isopropyl 2-methyl-5-oxo-4,7-bis(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-5-oxo-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4,7-bis(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isopropyl ester Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC=CS4)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC=CS4)C(=O)OC(C)C

InChI

InChI=1S/C22H23NO3S2/c1-12(2)26-22(25)19-13(3)23-15-10-14(17-6-4-8-27-17)11-16(24)20(15)21(19)18-7-5-9-28-18/h4-10,12,14,20-21,23H,11H2,1-3H3