2-(5,6-dimethyl-4-oxidanylidene-3-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(5,6-dimethyl-4-oxo-3-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[5,6-dimethyl-4-oxo-3-(1-pyrrolyl)-2-thieno[2,3-d]pyrimidinyl]thio]-2-phenylacetic acid IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(4-keto-5,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)thio]-2-phenyl-acetic acid Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C3=CC=CC=C3)C(=O)O)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C3=CC=CC=C3)C(=O)O)N4C=CC=C4)C

InChI

InChI=1S/C20H17N3O3S2/c1-12-13(2)27-17-15(12)18(24)23(22-10-6-7-11-22)20(21-17)28-16(19(25)26)14-8-4-3-5-9-14/h3-11,16H,1-2H3,(H,25,26)