methyl 4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate

Systemtic Name: methyl 4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate Openeye Name: methyl 4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidine-2-carboxylate CAS Name: 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate Traditional Name: 4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidine-2-carboxylic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

Isomeric SMILES

COC(=O)C1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

InChI

InChI=1S/C12H12N2O3S/c1-17-12(16)9-13-10(15)8-6-4-2-3-5-7(6)18-11(8)14-9/h2-5H2,1H3,(H,13,14,15)