(E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-methyl-phenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-methyl-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-methyl-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-methylphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-methylphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-methyl-phenyl)pent-4-enoic acid Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C20H19NO3S/c1-13-11-14(7-9-17(13)24-2)12-15(8-10-19(22)23)20-21-16-5-3-4-6-18(16)25-20/h3-7,9,11-12H,8,10H2,1-2H3,(H,22,23)/b15-12+