1-benzothiophen-2-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 1-benzothiophen-2-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzothiophen-2-ylmethyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1-benzothiophen-2-ylmethyl ester IUPAC Name: 1-benzothiophen-2-ylmethyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzothiophen-2-ylmethyl ester Formula: C15H14N2O2S2 MolecularWeight: 318.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C15H14N2O2S2/c1-9-12(7-16-15(20)17-9)14(18)19-8-11-6-10-4-2-3-5-13(10)21-11/h2-6H,7-8H2,1H3,(H2,16,17,20)