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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxoazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C15H14N2O3S3 MolecularWeight: 366.47826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1C(CC1=O)SSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC(=C(C(=O)O)N1C(CC1=O)SSC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C15H14N2O3S3/c1-8(2)13(14(19)20)17-11(18)7-12(17)22-23-15-16-9-5-3-4-6-10(9)21-15/h3-6,12H,7H2,1-2H3,(H,19,20)