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

Systemtic Name: methyl 2-[2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-keto-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C30H25N3O4S3 MolecularWeight: 587.7322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3C6=CC=CC=C6

InChI

InChI=1S/C30H25N3O4S3/c1-37-29(36)25-20-14-8-9-15-22(20)40-27(25)31-23(34)17-39-30-32-26-24(21(16-38-26)18-10-4-2-5-11-18)28(35)33(30)19-12-6-3-7-13-19/h2-7,10-13,16H,8-9,14-15,17H2,1H3,(H,31,34)