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

Systemtic Name: ethyl 6-methyl-2-[2-[6-methyl-4-oxidanylidene-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-[6-methyl-4-oxo-3-(4-pyridylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[[6-methyl-4-oxo-3-(pyridin-4-ylmethyl)-2-thieno[2,3-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-[6-methyl-4-oxo-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-keto-6-methyl-3-(4-pyridylmethyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H28N4O4S3 MolecularWeight: 568.73062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC4=C(C=C(S4)C)C(=O)N3CC5=CC=NC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC4=C(C=C(S4)C)C(=O)N3CC5=CC=NC=C5

InChI

InChI=1S/C27H28N4O4S3/c1-4-35-26(34)22-18-6-5-15(2)11-20(18)38-24(22)29-21(32)14-36-27-30-23-19(12-16(3)37-23)25(33)31(27)13-17-7-9-28-10-8-17/h7-10,12,15H,4-6,11,13-14H2,1-3H3,(H,29,32)