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

Systemtic Name: oxolan-2-ylmethyl 2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 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 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 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 tetrahydrofurfuryl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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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)OCC4CCCO4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=CS3)C(=O)OCC4CCCO4

InChI

InChI=1S/C22H27NO4S/c1-13-18(21(25)27-12-14-6-4-8-26-14)20(17-7-5-9-28-17)19-15(23-13)10-22(2,3)11-16(19)24/h5,7,9-10,14,19-20,23H,4,6,8,11-12H2,1-3H3