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

Systemtic Name: [5-(4-chlorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [5-(4-chlorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic 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 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [5-(4-chlorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C20H13ClN4O5S MolecularWeight: 456.85902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H13ClN4O5S/c21-12-4-1-10(2-5-12)13-9-31-19-17(13)18(26)23-16(24-19)8-30-20(27)11-3-6-14(22)15(7-11)25(28)29/h1-7,9H,8,22H2,(H,23,24,26)