ethyl 6-methyl-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[2-(thieno[2,3-d]pyrimidin-4-ylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)SC3=NC=NC4=C3C=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C21H23N3O3S3/c1-4-27-21(26)16-13-6-5-11(2)9-15(13)30-20(16)24-17(25)12(3)29-19-14-7-8-28-18(14)22-10-23-19/h7-8,10-12H,4-6,9H2,1-3H3,(H,24,25)