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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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