(phenylmethyl) 2-[3-acetamido-2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (phenylmethyl) 2-[3-acetamido-2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: benzyl 2-[3-acetamido-2-(1,3-dioxoisoindolin-2-yl)sulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[3-acetamido-2-[(1,3-dioxo-2-isoindolyl)thio]-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-acetamido-2-(1,3-dioxoisoindol-2-yl)sulfanyl-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[3-acetamido-2-keto-4-(phthalimidothio)azetidin-1-yl]-3-methyl-but-3-enoic acid benzyl ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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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)SN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)C)SN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H23N3O6S/c1-14(2)20(25(33)34-13-16-9-5-4-6-10-16)27-23(32)19(26-15(3)29)24(27)35-28-21(30)17-11-7-8-12-18(17)22(28)31/h4-12,19-20,24H,1,13H2,2-3H3,(H,26,29)