[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (2-oxo-2-ureido-ethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (2-keto-2-ureido-ethyl) ester Formula: C14H15N3O4S2 MolecularWeight: 353.4166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C14H15N3O4S2/c15-13(20)17-11(18)8-21-12(19)6-3-7-22-14-16-9-4-1-2-5-10(9)23-14/h1-2,4-5H,3,6-8H2,(H3,15,17,18,20)