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

Systemtic Name: (phenylmethyl) 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(3-thienyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CSC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO3S/c1-15-20(23(27)28-13-16-7-5-4-6-8-16)21(17-9-10-29-14-17)22-18(25-15)11-24(2,3)12-19(22)26/h4-10,14,21,25H,11-13H2,1-3H3