(E)-4-(1,3-benzothiazol-2-yl)-5-(5-cyano-1,2-dimethyl-pyrrol-3-yl)pent-4-enoate

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-cyano-1,2-dimethyl-pyrrol-3-yl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-cyano-1,2-dimethyl-pyrrol-3-yl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-cyano-1,2-dimethyl-3-pyrrolyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-cyano-1,2-dimethylpyrrol-3-yl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-cyano-1,2-dimethyl-pyrrol-3-yl)pent-4-enoate Formula: C19H16N3O2S- MolecularWeight: 350.41424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17N3O2S/c1-12-14(10-15(11-20)22(12)2)9-13(7-8-18(23)24)19-21-16-5-3-4-6-17(16)25-19/h3-6,9-10H,7-8H2,1-2H3,(H,23,24)/p-1/b13-9+