(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chloranylbenzoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chloranylbenzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H13ClN2O3S MolecularWeight: 396.84682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H13ClN2O3S/c21-14-8-4-7-13(9-14)20(25)26-10-16-22-18(24)17-15(11-27-19(17)23-16)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,22,23,24)