2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethenyl]sulfanylethanoate

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethenyl]sulfanylethanoate Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-methyl-2-thienyl)vinyl]sulfanylacetate CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-methyl-2-thiophenyl)ethenyl]thio]acetate IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)ethenyl]sulfanylacetate Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-methyl-2-thienyl)vinyl]thio]acetate Formula: C16H12NO2S3- MolecularWeight: 346.46698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)[O-]

InChI

InChI=1S/C16H13NO2S3/c1-10-6-7-11(21-10)8-14(20-9-15(18)19)16-17-12-4-2-3-5-13(12)22-16/h2-8H,9H2,1H3,(H,18,19)/p-1/b14-8-