2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-3-prop-1-en-2-yl-azetidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-3-prop-1-en-2-yl-azetidin-1-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-isopropenyl-3-[(4-nitrophenyl)methyl]-4-oxo-azetidin-1-yl]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-(1-methylethenyl)-3-[(4-nitrophenyl)methyl]-4-oxo-1-azetidinyl]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-[(4-nitrophenyl)methyl]-4-oxo-3-prop-1-en-2-ylazetidin-1-yl]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-isopropenyl-4-keto-3-(4-nitrobenzyl)azetidin-1-yl]acetic acid Formula: C22H19N3O5S3 MolecularWeight: 501.59836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1(C(N(C1=O)CC(=O)O)SSC2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=C)C1(C(N(C1=O)CC(=O)O)SSC2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S3/c1-13(2)22(11-14-7-9-15(10-8-14)25(29)30)19(28)24(12-18(26)27)20(22)32-33-21-23-16-5-3-4-6-17(16)31-21/h3-10,20H,1,11-12H2,2H3,(H,26,27)