[2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl] 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [2-[(3-ethoxycarbonyl-5-ethyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [2-[(3-carbethoxy-5-ethyl-4-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)COC(=O)C2=CNC3=CC=CC=C32)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)COC(=O)C2=CNC3=CC=CC=C32)C(=O)OCC)C

InChI

InChI=1S/C21H22N2O5S/c1-4-16-12(3)18(21(26)27-5-2)19(29-16)23-17(24)11-28-20(25)14-10-22-15-9-7-6-8-13(14)15/h6-10,22H,4-5,11H2,1-3H3,(H,23,24)