ethyl (6R)-6-methyl-2-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-6-methyl-2-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-methyl-2-[[2-[4-(2-thienyl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[1-oxo-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-methyl-2-[[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-[[2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O3S3 MolecularWeight: 473.63132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)CSC3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H23N3O3S3/c1-3-28-21(27)19-14-7-6-13(2)11-17(14)31-20(19)25-18(26)12-30-22-23-9-8-15(24-22)16-5-4-10-29-16/h4-5,8-10,13H,3,6-7,11-12H2,1-2H3,(H,25,26)/t13-/m1/s1