phenethyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CSC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CSC=C3)C(=O)OCCC4=CC=CC=C4

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/h4-8,10,12-13,15,22-23,26H,9,11,14H2,1-3H3