3-[4-oxidanylidene-6-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid

Systemtic Name: 3-[4-oxidanylidene-6-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid Openeye Name: 3-[4-oxo-6-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-2-thioxo-1,3-thiazin-3-yl]propanoic acid CAS Name: 3-[4-oxo-6-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid IUPAC Name: 3-[4-oxo-6-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid Traditional Name: 3-[4-keto-6-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-2-thioxo-1,3-thiazin-3-yl]propionic acid Formula: C20H15N3O3S3 MolecularWeight: 441.5464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C4=CC(=O)N(C(=S)S4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C4=CC(=O)N(C(=S)S4)CCC(=O)O

InChI

InChI=1S/C20H15N3O3S3/c24-17-11-16(29-20(27)22(17)9-8-18(25)26)14-12-23(13-5-2-1-3-6-13)21-19(14)15-7-4-10-28-15/h1-7,10-12H,8-9H2,(H,25,26)