methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid methyl ester IUPAC Name: methyl 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[3-benzamido-2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid methyl ester Formula: C23H21N3O4S3 MolecularWeight: 499.62554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)C2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)C2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H21N3O4S3/c1-13(2)18(22(29)30-3)26-20(28)17(25-19(27)14-9-5-4-6-10-14)21(26)32-33-23-24-15-11-7-8-12-16(15)31-23/h4-12,17,21H,1-3H3,(H,25,27)