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

Systemtic Name: (phenylmethyl) 2-(3-acetamido-2-chloranylsulfinyl-4-oxidanylidene-azetidin-1-yl)-3-methyl-but-3-enoate Openeye Name: benzyl 2-(3-acetamido-2-chlorosulfinyl-4-oxo-azetidin-1-yl)-3-methyl-but-3-enoate CAS Name: 2-(3-acetamido-2-chlorosulfinyl-4-oxo-1-azetidinyl)-3-methyl-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-acetamido-2-chlorosulfinyl-4-oxoazetidin-1-yl)-3-methylbut-3-enoate Traditional Name: 2-(3-acetamido-2-chlorosulfinyl-4-keto-azetidin-1-yl)-3-methyl-but-3-enoic acid benzyl ester Formula: C17H19ClN2O5S MolecularWeight: 398.86116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O5S/c1-10(2)14(17(23)25-9-12-7-5-4-6-8-12)20-15(22)13(19-11(3)21)16(20)26(18)24/h4-8,13-14,16H,1,9H2,2-3H3,(H,19,21)