propan-2-yl 2-[2-(6-oxidanyl-4-oxidanylidene-1-propyl-pyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(6-oxidanyl-4-oxidanylidene-1-propyl-pyrimidin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(6-hydroxy-4-oxo-1-propyl-pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-hydroxy-4-oxo-1-propyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(6-hydroxy-4-oxo-1-propylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-hydroxy-4-keto-1-propyl-pyrimidin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=O)N=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)O

Isomeric SMILES

CCCN1C(=CC(=O)N=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)O

InChI

InChI=1S/C21H27N3O5S2/c1-4-9-24-17(27)10-15(25)23-21(24)30-11-16(26)22-19-18(20(28)29-12(2)3)13-7-5-6-8-14(13)31-19/h10,12,27H,4-9,11H2,1-3H3,(H,22,26)