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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)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-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c20-14(12-6-4-10-18-12)11-22-17(21)9-3-8-16-19-13-5-1-2-7-15(13)23-16/h1-2,4-7,10,18H,3,8-9,11H2