methyl 2-[2-[5-(4-chlorophenyl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[5-(4-chlorophenyl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[5-(4-chlorophenyl)-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-(4-chlorophenyl)-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[5-(4-chlorophenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(4-chlorophenyl)-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C31H26ClN3O4S3 MolecularWeight: 636.20384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3C6=CC=CC=C6

InChI

InChI=1S/C31H26ClN3O4S3/c1-39-30(38)26-21-10-6-3-7-11-23(21)42-28(26)33-24(36)17-41-31-34-27-25(29(37)35(31)20-8-4-2-5-9-20)22(16-40-27)18-12-14-19(32)15-13-18/h2,4-5,8-9,12-16H,3,6-7,10-11,17H2,1H3,(H,33,36)