[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-[[3-carbethoxy-4-(2-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C25H25ClN2O7S3 MolecularWeight: 597.1232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H25ClN2O7S3/c1-2-34-25(31)22-18(17-6-3-4-7-19(17)26)15-37-23(22)27-20(29)14-35-24(30)16-9-11-28(12-10-16)38(32,33)21-8-5-13-36-21/h3-8,13,15-16H,2,9-12,14H2,1H3,(H,27,29)