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

Systemtic Name: (4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(2-nitrophenoxy)ethanoate Openeye Name: (4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid (4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid (4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)COC(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)COC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6S/c23-16(10-27-13-7-3-2-6-12(13)22(25)26)28-9-15-20-18(24)17-11-5-1-4-8-14(11)29-19(17)21-15/h2-3,6-7H,1,4-5,8-10H2,(H,20,21,24)