1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(2-nitrophenyl)ethanoate

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(2-nitrophenyl)ethanoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)CC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O5S/c1-9-11(3)27-18-15(9)17(23)19-16(20-18)10(2)26-14(22)8-12-6-4-5-7-13(12)21(24)25/h4-7,10H,8H2,1-3H3,(H,19,20,23)