(4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-(2-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(2-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid p-anisyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CS3)C(=O)OCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CS3)C(=O)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27NO4S/c1-15-21(24(28)30-14-16-7-9-17(29-4)10-8-16)23(20-6-5-11-31-20)22-18(26-15)12-25(2,3)13-19(22)27/h5-12,22-23,26H,13-14H2,1-4H3