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

Systemtic Name: (phenylmethyl) 2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 2-methyl-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21NO3S/c1-14-19(22(25)26-13-15-7-3-2-4-8-15)21(18-11-6-12-27-18)20-16(23-14)9-5-10-17(20)24/h2-4,6-8,11-12,21,23H,5,9-10,13H2,1H3