methyl 2-(1-benzofuran-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-(1-benzofuran-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-(benzofuran-2-yl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(2-benzofuranyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-benzofuran-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 2-(benzofuran-2-yl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)C2=CC3=CC=CC=C3O2)C(=O)OC

Isomeric SMILES

CC1=C(C(=S)N=C(N1)C2=CC3=CC=CC=C3O2)C(=O)OC

InChI

InChI=1S/C15H12N2O3S/c1-8-12(15(18)19-2)14(21)17-13(16-8)11-7-9-5-3-4-6-10(9)20-11/h3-7H,1-2H3,(H,16,17,21)