3-[1-(4-methyl-1,3-benzothiazol-2-yl)-5-thiophen-3-yl-pyrazol-3-yl]propanoic acid

Systemtic Name: 3-[1-(4-methyl-1,3-benzothiazol-2-yl)-5-thiophen-3-yl-pyrazol-3-yl]propanoic acid Openeye Name: 3-[1-(4-methyl-1,3-benzothiazol-2-yl)-5-(3-thienyl)pyrazol-3-yl]propanoic acid CAS Name: 3-[1-(4-methyl-1,3-benzothiazol-2-yl)-5-(3-thiophenyl)-3-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(4-methyl-1,3-benzothiazol-2-yl)-5-thiophen-3-ylpyrazol-3-yl]propanoic acid Traditional Name: 3-[1-(4-methyl-1,3-benzothiazol-2-yl)-5-(3-thienyl)pyrazol-3-yl]propionic acid Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)CCC(=O)O)C4=CSC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)CCC(=O)O)C4=CSC=C4

InChI

InChI=1S/C18H15N3O2S2/c1-11-3-2-4-15-17(11)19-18(25-15)21-14(12-7-8-24-10-12)9-13(20-21)5-6-16(22)23/h2-4,7-10H,5-6H2,1H3,(H,22,23)