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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-cyanophenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-cyanophenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-cyanophenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-cyanophenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-cyanophenyl)but-3-enoic acid Formula: C18H12N2O2S MolecularWeight: 320.36508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)C#N)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O2S/c19-11-13-7-5-12(6-8-13)9-14(10-17(21)22)18-20-15-3-1-2-4-16(15)23-18/h1-9H,10H2,(H,21,22)/b14-9+