(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-bromanylthiophen-2-yl)but-3-enoic acid

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-bromanylthiophen-2-yl)but-3-enoic acid Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-bromo-2-thienyl)but-3-enoic acid CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-bromo-2-thiophenyl)-3-butenoic acid IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-bromothiophen-2-yl)but-3-enoic acid Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(4-bromo-2-thienyl)but-3-enoic acid Formula: C15H10BrNO2S2 MolecularWeight: 380.2794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=CS3)Br)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC(=CS3)Br)/CC(=O)O

InChI

InChI=1S/C15H10BrNO2S2/c16-10-7-11(20-8-10)5-9(6-14(18)19)15-17-12-3-1-2-4-13(12)21-15/h1-5,7-8H,6H2,(H,18,19)/b9-5-