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

Systemtic Name: (E)-5-(4-acetamidophenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid Openeye Name: (E)-5-(4-acetamidophenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid CAS Name: (E)-5-(4-acetamidophenyl)-4-(1,3-benzothiazol-2-yl)-4-pentenoic acid IUPAC Name: (E)-5-(4-acetamidophenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid Traditional Name: (E)-5-(4-acetamidophenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18N2O3S/c1-13(23)21-16-9-6-14(7-10-16)12-15(8-11-19(24)25)20-22-17-4-2-3-5-18(17)26-20/h2-7,9-10,12H,8,11H2,1H3,(H,21,23)(H,24,25)/b15-12+