oxolan-2-ylmethyl 2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: oxolan-2-ylmethyl 2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(3-nitrophenyl)-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid tetrahydrofurfuryl ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCC5CCCO5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCC5CCCO5

InChI

InChI=1S/C26H26N2O6S/c1-15-23(26(30)34-14-19-7-3-9-33-19)24(16-5-2-6-18(11-16)28(31)32)25-20(27-15)12-17(13-21(25)29)22-8-4-10-35-22/h2,4-6,8,10-12,17,19,24-25,27H,3,7,9,13-14H2,1H3