(phenylmethyl) 2-(3-acetamido-2-oxidanylidene-4-sulfanyl-azetidin-1-yl)-3-methyl-but-3-enoate

Systemtic Name: (phenylmethyl) 2-(3-acetamido-2-oxidanylidene-4-sulfanyl-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: benzyl 2-(3-acetamido-2-oxo-4-sulfanyl-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(3-acetamido-2-mercapto-4-oxo-1-azetidinyl)-3-methyl-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-acetamido-2-oxo-4-sulfanylazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(3-acetamido-2-keto-4-mercapto-azetidin-1-yl)-3-methyl-but-3-enoic acid benzyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)C)S

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)C)S

InChI

InChI=1S/C17H20N2O4S/c1-10(2)14(17(22)23-9-12-7-5-4-6-8-12)19-15(21)13(16(19)24)18-11(3)20/h4-8,13-14,16,24H,1,9H2,2-3H3,(H,18,20)