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

Systemtic Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thienyl]amino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic 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] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-[(3-carbomethoxy-5-methyl-4-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C27H28N2O9S3 MolecularWeight: 620.71422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C(=O)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H28N2O9S3/c1-16-19(12-17-5-6-20-21(13-17)38-15-37-20)24(27(32)35-2)25(40-16)28-22(30)14-36-26(31)18-7-9-29(10-8-18)41(33,34)23-4-3-11-39-23/h3-6,11,13,18H,7-10,12,14-15H2,1-2H3,(H,28,30)