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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C21H23N3O3S3/c1-11(2)27-21(26)17-13-5-4-12(3)8-15(13)30-20(17)24-16(25)9-29-19-14-6-7-28-18(14)22-10-23-19/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,25)