[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C17H16N2O3S2/c20-14(12-6-3-9-18-12)11-22-16(21)8-4-10-23-17-19-13-5-1-2-7-15(13)24-17/h1-3,5-7,9,18H,4,8,10-11H2