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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H23N3O4S2/c1-2-3-10-19-17(24)21-15(22)12-25-16(23)9-6-11-26-18-20-13-7-4-5-8-14(13)27-18/h4-5,7-8H,2-3,6,9-12H2,1H3,(H2,19,21,22,24)