[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-isobutyl-2-thienyl)amino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[(3-carbethoxy-4-isobutyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C24H26N2O5S/c1-5-30-24(29)21-16(10-14(2)3)13-32-22(21)26-20(27)12-31-23(28)18-11-15(4)25-19-9-7-6-8-17(18)19/h6-9,11,13-14H,5,10,12H2,1-4H3,(H,26,27)