[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thienyl]amino]-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-[(3-carbomethoxy-5-methyl-4-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C32H32N2O7S MolecularWeight: 588.67068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C(=C(S3)C)CC4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=C(C(=C(S3)C)CC4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C32H32N2O7S/c1-5-9-23-20(6-2)28(21-10-7-8-11-24(21)33-23)32(37)39-16-27(35)34-30-29(31(36)38-4)22(18(3)42-30)14-19-12-13-25-26(15-19)41-17-40-25/h7-8,10-13,15H,5-6,9,14,16-17H2,1-4H3,(H,34,35)