(E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromanylthiophen-2-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromanylthiophen-2-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-thienyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-thiophenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromothiophen-2-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-bromo-2-thienyl)but-3-enoic acid Formula: C15H10BrNO2S2 MolecularWeight: 380.2794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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