[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S2/c1-13(15-8-4-3-5-9-15)21-19(24)14(2)25-18(23)12-26-20-22-16-10-6-7-11-17(16)27-20/h3-11,13-14H,12H2,1-2H3,(H,21,24)