[1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid [1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid [2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C)C(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C)C(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H27N3O4S/c1-13-11-18(14(2)24(13)12-17-9-6-10-29-17)20(26)28-15(3)19(25)23-21(27)22-16-7-4-5-8-16/h6,9-11,15-16H,4-5,7-8,12H2,1-3H3,(H2,22,23,25,27)