methyl 4-[[6-ethyl-3-(3-methoxypropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[6-ethyl-3-(3-methoxypropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[6-ethyl-3-(3-methoxypropyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[6-ethyl-3-(3-methoxypropyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-ethyl-3-(3-methoxypropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[6-ethyl-4-keto-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O4S2/c1-4-16-12-17-18(29-16)22-21(23(19(17)24)10-5-11-26-2)28-13-14-6-8-15(9-7-14)20(25)27-3/h6-9,12H,4-5,10-11,13H2,1-3H3