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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-methylpyrazol-4-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-methylpyrazol-4-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-methyl-4-pyrazolyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-methylpyrazol-4-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(1-methylpyrazol-4-yl)pent-4-enoic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CN1C=C(C=N1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H15N3O2S/c1-19-10-11(9-17-19)8-12(6-7-15(20)21)16-18-13-4-2-3-5-14(13)22-16/h2-5,8-10H,6-7H2,1H3,(H,20,21)/b12-8+