3-(2,2-dimethoxyethyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(2,2-dimethoxyethyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(2,2-dimethoxyethyl)-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(2,2-dimethoxyethyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(2,2-dimethoxyethyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(2,2-dimethoxyethyl)-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C14H13N3O5S2 MolecularWeight: 367.40012

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])NC1=S)OC

Isomeric SMILES

COC(CN1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])NC1=S)OC

InChI

InChI=1S/C14H13N3O5S2/c1-21-10(22-2)6-16-13(18)12-11(15-14(16)23)8-5-7(17(19)20)3-4-9(8)24-12/h3-5,10H,6H2,1-2H3,(H,15,23)