methyl 4-[[2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

InChI

InChI=1S/C21H17N3O4S2/c1-28-21(27)14-6-4-13(5-7-14)9-22-17(25)10-24-12-23-19-18(20(24)26)15(11-30-19)16-3-2-8-29-16/h2-8,11-12H,9-10H2,1H3,(H,22,25)