ethyl 2-methylsulfanyl-4-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylsulfanyl)ethanoylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylsulfanyl)ethanoylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[[2-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethylsulfanyl)acetyl]amino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[[1-oxo-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylthio)ethyl]amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylsulfanyl)acetyl]amino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[[2-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethylthio)acetyl]amino]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N3O3S3 MolecularWeight: 437.59922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(=O)CSCC2=CSC3=C2CCCC3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(=O)CSCC2=CSC3=C2CCCC3)SC

InChI

InChI=1S/C19H23N3O3S3/c1-3-25-18(24)14-8-20-19(26-2)22-17(14)21-16(23)11-27-9-12-10-28-15-7-5-4-6-13(12)15/h8,10H,3-7,9,11H2,1-2H3,(H,20,21,22,23)