phenethyl 2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(4-methyl-3-nitro-phenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C30H28N2O5S MolecularWeight: 528.61872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCCC5=CC=CC=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCCC5=CC=CC=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C30H28N2O5S/c1-18-10-11-21(16-24(18)32(35)36)28-27(30(34)37-13-12-20-7-4-3-5-8-20)19(2)31-23-15-22(17-25(33)29(23)28)26-9-6-14-38-26/h3-11,14,16,22,28,31H,12-13,15,17H2,1-2H3