2-[6-ethyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-[6-ethyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[6-ethyl-2-[(4-nitrophenyl)methyl]-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[6-ethyl-2-[(4-nitrophenyl)methyl]-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[6-ethyl-2-[(4-nitrophenyl)methyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[6-ethyl-4-keto-2-(4-nitrobenzyl)thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C17H14N3O5S- MolecularWeight: 372.37516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC(=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC(=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S/c1-2-12-8-13-16(26-12)18-14(19(17(13)23)9-15(21)22)7-10-3-5-11(6-4-10)20(24)25/h3-6,8H,2,7,9H2,1H3,(H,21,22)/p-1