phenethyl 7,7-dimethyl-2-methylidene-5-oxidanylidene-4-thiophen-3-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 7,7-dimethyl-2-methylidene-5-oxidanylidene-4-thiophen-3-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 7,7-dimethyl-2-methylene-5-oxo-4-(3-thienyl)-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7,7-dimethyl-2-methylene-5-oxo-4-(3-thiophenyl)-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 7,7-dimethyl-2-methylidene-5-oxo-4-thiophen-3-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7,7-dimethyl-2-methylene-4-(3-thienyl)-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCCC3=CC=CC=C3)C4=CSC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCCC3=CC=CC=C3)C4=CSC=C4)C(=O)C1)C

InChI

InChI=1S/C25H27NO3S/c1-16-21(24(28)29-11-9-17-7-5-4-6-8-17)22(18-10-12-30-15-18)23-19(26-16)13-25(2,3)14-20(23)27/h4-8,10,12,15,21-22,26H,1,9,11,13-14H2,2-3H3