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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-methylpyrazol-4-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-methylpyrazol-4-yl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-methyl-4-pyrazolyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-methylpyrazol-4-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(1-methylpyrazol-4-yl)but-3-enoic acid Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-18-9-10(8-16-18)6-11(7-14(19)20)15-17-12-4-2-3-5-13(12)21-15/h2-6,8-9H,7H2,1H3,(H,19,20)/b11-6+