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

Systemtic Name: methyl 4-[[5-(5-methylthiophen-2-yl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(5-methyl-2-thienyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[5-(5-methyl-2-thiophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[4-keto-5-(5-methyl-2-thienyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid methyl ester Formula: C20H16N2O3S2 MolecularWeight: 396.48264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H16N2O3S2/c1-12-3-8-16(27-12)15-10-26-18-17(15)19(23)22(11-21-18)9-13-4-6-14(7-5-13)20(24)25-2/h3-8,10-11H,9H2,1-2H3