[1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [1-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C27H24N2O5S/c1-4-33-26(31)21-15-23(18-10-6-5-7-11-18)35-25(21)29-24(30)17(3)34-27(32)20-14-16(2)28-22-13-9-8-12-19(20)22/h5-15,17H,4H2,1-3H3,(H,29,30)