(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-azanyl-4-chloranyl-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-azanyl-4-chloranyl-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C14H10ClN3O3S MolecularWeight: 335.7655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)N)Cl

InChI

InChI=1S/C14H10ClN3O3S/c15-8-2-1-7(5-9(8)16)14(20)21-6-11-17-10-3-4-22-12(10)13(19)18-11/h1-5H,6,16H2,(H,17,18,19)