cyclohexyl 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: cyclohexyl 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: cyclohexyl 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid cyclohexyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c24-17(28-15-7-2-1-3-8-15)10-22-12-21-19-18(20(22)25)16(11-29-19)13-5-4-6-14(9-13)23(26)27/h4-6,9,11-12,15H,1-3,7-8,10H2