(E)-4-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)but-3-enoate

Systemtic Name: (E)-4-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)but-3-enoate Openeye Name: (E)-4-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)but-3-enoate CAS Name: (E)-4-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)-3-butenoate IUPAC Name: (E)-4-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)but-3-enoate Traditional Name: (E)-4-(4-acetamidophenyl)-3-(1,3-benzothiazol-2-yl)but-3-enoate Formula: C19H15N2O3S- MolecularWeight: 351.399

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H16N2O3S/c1-12(22)20-15-8-6-13(7-9-15)10-14(11-18(23)24)19-21-16-4-2-3-5-17(16)25-19/h2-10H,11H2,1H3,(H,20,22)(H,23,24)/p-1/b14-10+