2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidine-1-sulfonic acid

Systemtic Name: 2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidine-1-sulfonic acid Openeye Name: 2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidine-1-sulfonic acid CAS Name: 2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinesulfonic acid IUPAC Name: 2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidine-1-sulfonic acid Traditional Name: 2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-3-[(2-phenoxyacetyl)amino]azetidine-1-sulfonic acid Formula: C18H15N3O6S4 MolecularWeight: 497.5882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2C(N(C2=O)S(=O)(=O)O)SSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2C(N(C2=O)S(=O)(=O)O)SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N3O6S4/c22-14(10-27-11-6-2-1-3-7-11)20-15-16(23)21(31(24,25)26)17(15)29-30-18-19-12-8-4-5-9-13(12)28-18/h1-9,15,17H,10H2,(H,20,22)(H,24,25,26)