3-[2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(5-cyclopropyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(5-cyclopropyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(5-cyclopropyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid Formula: C25H21N3O4S2 MolecularWeight: 491.58194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4S2/c1-14-7-8-16(24(31)32)11-19(14)26-20(29)13-34-25-27-22-21(18(12-33-22)15-9-10-15)23(30)28(25)17-5-3-2-4-6-17/h2-8,11-12,15H,9-10,13H2,1H3,(H,26,29)(H,31,32)