[1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C20H23N3O4S2/c1-13(18(24)23-20(26)22-15-4-2-3-5-15)27-19(25)14-6-8-17(9-7-14)29-11-16-10-28-12-21-16/h6-10,12-13,15H,2-5,11H2,1H3,(H2,22,23,24,26)