(4-nitrophenyl)methyl 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Openeye Name: (4-nitrophenyl)methyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propanoate CAS Name: 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Traditional Name: 3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propionic acid (4-nitrobenzyl) ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c24-17(28-11-12-5-7-13(8-6-12)23(26)27)10-9-16-21-19(25)18-14-3-1-2-4-15(14)29-20(18)22-16/h5-8H,1-4,9-11H2,(H,21,22,25)