[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl (E)-3-phenylsulfanylprop-2-enoate Openeye Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl ester IUPAC Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid (1,1,3-triketo-1,2-benzothiazol-2-yl)methyl ester Formula: C17H13NO5S2 MolecularWeight: 375.41882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)OCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)OCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H13NO5S2/c19-16(10-11-24-13-6-2-1-3-7-13)23-12-18-17(20)14-8-4-5-9-15(14)25(18,21)22/h1-11H,12H2/b11-10+