[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl thiophene-3-carboxylate

Systemtic Name: [5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl thiophene-3-carboxylate Openeye Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C18H11ClN2O3S2 MolecularWeight: 402.87454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CSC=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CSC=C4)Cl

InChI

InChI=1S/C18H11ClN2O3S2/c19-12-3-1-10(2-4-12)13-9-26-17-15(13)16(22)20-14(21-17)7-24-18(23)11-5-6-25-8-11/h1-6,8-9H,7H2,(H,20,21,22)