2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(2-bromophenyl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(2-bromophenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(2-bromophenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(2-bromophenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(2-bromophenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(2-bromophenyl)vinyl]thio]acetic acid Formula: C17H12BrNO2S2 MolecularWeight: 406.31668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O)Br

InChI

InChI=1S/C17H12BrNO2S2/c18-12-6-2-1-5-11(12)9-15(22-10-16(20)21)17-19-13-7-3-4-8-14(13)23-17/h1-9H,10H2,(H,20,21)/b15-9-