ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 3-keto-4-[(4-keto-3-piperonyl-thieno[3,2-d]pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

InChI

InChI=1S/C20H18N2O6S2/c1-2-26-17(24)8-13(23)10-30-20-21-14-5-6-29-18(14)19(25)22(20)9-12-3-4-15-16(7-12)28-11-27-15/h3-7H,2,8-11H2,1H3