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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-azanyl-4-chloranyl-benzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-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-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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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(=C(C=C4)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O3S/c21-14-7-6-12(8-15(14)22)20(26)27-9-16-23-18(25)17-13(10-28-19(17)24-16)11-4-2-1-3-5-11/h1-8,10H,9,22H2,(H,23,24,25)