2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-methoxy-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-methoxy-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-methoxy-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-methoxy-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-methoxy-4-oxoazetidin-1-yl]-3-methylbut-3-enoic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-3-methoxy-azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C16H16N2O4S3 MolecularWeight: 396.50424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)O)N1C(C(C1=O)OC)SSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=C)C(C(=O)O)N1C(C(C1=O)OC)SSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N2O4S3/c1-8(2)11(15(20)21)18-13(19)12(22-3)14(18)24-25-16-17-9-6-4-5-7-10(9)23-16/h4-7,11-12,14H,1H2,2-3H3,(H,20,21)