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

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H21N3O4S2/c1-3-18-16(23)20-15(22)11(2)24-14(21)9-6-10-25-17-19-12-7-4-5-8-13(12)26-17/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,18,20,22,23)