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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-cyano-1,2-dimethyl-3-pyrrolyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-cyano-1,2-dimethylpyrrol-3-yl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(5-cyano-1,2-dimethyl-pyrrol-3-yl)but-3-enoate Formula: C18H14N3O2S- MolecularWeight: 336.38766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c1-11-12(8-14(10-19)21(11)2)7-13(9-17(22)23)18-20-15-5-3-4-6-16(15)24-18/h3-8H,9H2,1-2H3,(H,22,23)/p-1/b13-7+