methyl 2-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C19H19N3O4S2/c1-26-19(25)15-11-5-3-2-4-6-13(11)28-17(15)21-14(23)9-22-10-20-16-12(18(22)24)7-8-27-16/h7-8,10H,2-6,9H2,1H3,(H,21,23)