(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-thiophen-3-yl-prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-thiophen-3-yl-prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-thienyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(3-thiophenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-thiophen-3-ylprop-2-enoic acid Traditional Name: (E)-2-(1,3-benzothiazol-2-ylthio)-3-(3-thienyl)acrylic acid Formula: C14H9NO2S3 MolecularWeight: 319.42176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CSC=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S/C(=C/C3=CSC=C3)/C(=O)O

InChI

InChI=1S/C14H9NO2S3/c16-13(17)12(7-9-5-6-18-8-9)20-14-15-10-3-1-2-4-11(10)19-14/h1-8H,(H,16,17)/b12-7+