[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18N2O4S2/c1-2-18(24)21-14-9-7-13(8-10-14)16(23)11-26-19(25)12-27-20-22-15-5-3-4-6-17(15)28-20/h3-10H,2,11-12H2,1H3,(H,21,24)