2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-bromanylthiophen-2-yl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-bromanylthiophen-2-yl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-thienyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-thiophenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-bromothiophen-2-yl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-thienyl)vinyl]thio]acetic acid Formula: C15H10BrNO2S3 MolecularWeight: 412.3444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(S3)Br)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(S3)Br)/SCC(=O)O

InChI

InChI=1S/C15H10BrNO2S3/c16-13-6-5-9(21-13)7-12(20-8-14(18)19)15-17-10-3-1-2-4-11(10)22-15/h1-7H,8H2,(H,18,19)/b12-7-