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

Systemtic Name: 2-phenoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(4-nitrophenyl)-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C29H26N2O6S MolecularWeight: 530.59154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCOC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCOC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O6S/c1-18-26(29(33)37-14-13-36-22-6-3-2-4-7-22)27(19-9-11-21(12-10-19)31(34)35)28-23(30-18)16-20(17-24(28)32)25-8-5-15-38-25/h2-12,15-16,20,27-28,30H,13-14,17H2,1H3