2-(6-nitro-2-oxidanylidene-4-phenyl-thieno[2,3-d]pyrimidin-1-yl)ethyl ethanoate

Systemtic Name: 2-(6-nitro-2-oxidanylidene-4-phenyl-thieno[2,3-d]pyrimidin-1-yl)ethyl ethanoate Openeye Name: 2-(6-nitro-2-oxo-4-phenyl-thieno[2,3-d]pyrimidin-1-yl)ethyl acetate CAS Name: acetic acid 2-(6-nitro-2-oxo-4-phenyl-1-thieno[2,3-d]pyrimidinyl)ethyl ester IUPAC Name: 2-(6-nitro-2-oxo-4-phenylthieno[2,3-d]pyrimidin-1-yl)ethyl acetate Traditional Name: acetic acid 2-(2-keto-6-nitro-4-phenyl-thieno[2,3-d]pyrimidin-1-yl)ethyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C2=C(C=C(S2)[N+](=O)[O-])C(=NC1=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCN1C2=C(C=C(S2)[N+](=O)[O-])C(=NC1=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O5S/c1-10(20)24-8-7-18-15-12(9-13(25-15)19(22)23)14(17-16(18)21)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3