(E)-5-(1,3-benzothiazol-2-yl)-6-(5-methylthiophen-2-yl)hex-5-enoate

Systemtic Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-methylthiophen-2-yl)hex-5-enoate Openeye Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-methyl-2-thienyl)hex-5-enoate CAS Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-methyl-2-thiophenyl)-5-hexenoate IUPAC Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-methylthiophen-2-yl)hex-5-enoate Traditional Name: (E)-5-(1,3-benzothiazol-2-yl)-6-(5-methyl-2-thienyl)hex-5-enoate Formula: C18H16NO2S2- MolecularWeight: 342.45514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C(CCCC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(S1)/C=C(\CCCC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17NO2S2/c1-12-9-10-14(22-12)11-13(5-4-8-17(20)21)18-19-15-6-2-3-7-16(15)23-18/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,20,21)/p-1/b13-11+