[5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1H-pyrrole-2-carboxylate

Systemtic Name: [5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1H-pyrrole-2-carboxylate Openeye Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic 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 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C18H12ClN3O3S MolecularWeight: 385.82418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

Isomeric SMILES

C1=CNC(=C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

InChI

InChI=1S/C18H12ClN3O3S/c19-11-5-3-10(4-6-11)12-9-26-17-15(12)16(23)21-14(22-17)8-25-18(24)13-2-1-7-20-13/h1-7,9,20H,8H2,(H,21,22,23)