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

Systemtic Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate Openeye Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl] 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [2-[(3-carbethoxy-4-cyclopropyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O5S/c1-2-27-21(26)18-15(12-7-8-12)11-29-19(18)23-17(24)10-28-20(25)14-9-22-16-6-4-3-5-13(14)16/h3-6,9,11-12,22H,2,7-8,10H2,1H3,(H,23,24)