[1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H25N3O4S2/c1-13(18(25)23-19(26)21-14-7-2-3-8-14)27-17(24)11-6-12-28-20-22-15-9-4-5-10-16(15)29-20/h4-5,9-10,13-14H,2-3,6-8,11-12H2,1H3,(H2,21,23,25,26)