(E)-3-(1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chlorophenyl)but-3-enoate Formula: C17H11ClNO2S- MolecularWeight: 328.79274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=CC=C3)Cl)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC(=CC=C3)Cl)/CC(=O)[O-]

InChI

InChI=1S/C17H12ClNO2S/c18-13-5-3-4-11(9-13)8-12(10-16(20)21)17-19-14-6-1-2-7-15(14)22-17/h1-9H,10H2,(H,20,21)/p-1/b12-8+