(E)-6-(4-acetamidophenyl)-5-(1,3-benzothiazol-2-yl)hex-5-enoic acid

Systemtic Name: (E)-6-(4-acetamidophenyl)-5-(1,3-benzothiazol-2-yl)hex-5-enoic acid Openeye Name: (E)-6-(4-acetamidophenyl)-5-(1,3-benzothiazol-2-yl)hex-5-enoic acid CAS Name: (E)-6-(4-acetamidophenyl)-5-(1,3-benzothiazol-2-yl)-5-hexenoic acid IUPAC Name: (E)-6-(4-acetamidophenyl)-5-(1,3-benzothiazol-2-yl)hex-5-enoic acid Traditional Name: (E)-6-(4-acetamidophenyl)-5-(1,3-benzothiazol-2-yl)hex-5-enoic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-14(24)22-17-11-9-15(10-12-17)13-16(5-4-8-20(25)26)21-23-18-6-2-3-7-19(18)27-21/h2-3,6-7,9-13H,4-5,8H2,1H3,(H,22,24)(H,25,26)/b16-13+