(E)-4-(1,3-benzothiazol-2-yl)-5-(5-methylthiophen-2-yl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methylthiophen-2-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methyl-2-thienyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methyl-2-thiophenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methylthiophen-2-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(5-methyl-2-thienyl)pent-4-enoic acid Formula: C17H15NO2S2 MolecularWeight: 329.4365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(S1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO2S2/c1-11-6-8-13(21-11)10-12(7-9-16(19)20)17-18-14-4-2-3-5-15(14)22-17/h2-6,8,10H,7,9H2,1H3,(H,19,20)/b12-10+