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

Systemtic Name: (phenylmethyl) 2-(2-acetamido-4-oxidanylidene-3-sulfanylidene-azetidin-2-yl)-3-methyl-but-2-enoate Openeye Name: benzyl 2-(2-acetamido-4-oxo-3-thioxo-azetidin-2-yl)-3-methyl-but-2-enoate CAS Name: 2-(2-acetamido-4-oxo-3-sulfanylidene-2-azetidinyl)-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-acetamido-4-oxo-3-sulfanylideneazetidin-2-yl)-3-methylbut-2-enoate Traditional Name: 2-(2-acetamido-4-keto-3-thioxo-azetidin-2-yl)-3-methyl-but-2-enoic acid benzyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)C2(C(=S)C(=O)N2)NC(=O)C)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=CC=C1)C2(C(=S)C(=O)N2)NC(=O)C)C

InChI

InChI=1S/C17H18N2O4S/c1-10(2)13(16(22)23-9-12-7-5-4-6-8-12)17(18-11(3)20)14(24)15(21)19-17/h4-8H,9H2,1-3H3,(H,18,20)(H,19,21)