(phenylmethyl) 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 2,7,7-trimethyl-4-(5-methyl-2-thienyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(5-methyl-2-thiophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C25H27NO3S/c1-15-10-11-20(30-15)23-21(24(28)29-14-17-8-6-5-7-9-17)16(2)26-18-12-25(3,4)13-19(27)22(18)23/h5-11,23,26H,12-14H2,1-4H3