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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-(diphenylmethyl)-4-oxidanylidene-3-prop-1-en-2-yl-azetidin-1-yl]ethanoic acid Openeye Name: 2-[3-benzhydryl-2-(1,3-benzothiazol-2-yldisulfanyl)-3-isopropenyl-4-oxo-azetidin-1-yl]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-(diphenylmethyl)-3-(1-methylethenyl)-4-oxo-1-azetidinyl]acetic acid IUPAC Name: 2-[3-benzhydryl-2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-prop-1-en-2-ylazetidin-1-yl]acetic acid Traditional Name: 2-[3-benzhydryl-2-(1,3-benzothiazol-2-yldisulfanyl)-3-isopropenyl-4-keto-azetidin-1-yl]acetic acid Formula: C28H24N2O3S3 MolecularWeight: 532.69676

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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)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=C)C1(C(N(C1=O)CC(=O)O)SSC2=NC3=CC=CC=C3S2)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O3S3/c1-18(2)28(24(19-11-5-3-6-12-19)20-13-7-4-8-14-20)25(33)30(17-23(31)32)26(28)35-36-27-29-21-15-9-10-16-22(21)34-27/h3-16,24,26H,1,17H2,2H3,(H,31,32)