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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O3S2/c23-17(12-26-20-22-15-8-4-5-9-16(15)27-20)25-18(13-6-2-1-3-7-13)19(24)21-14-10-11-14/h1-9,14,18H,10-12H2,(H,21,24)