ethyl 4-[3-(4-bromophenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-(4-bromophenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-(4-bromophenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[3-(4-bromophenyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-bromophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-(4-bromophenyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C18H15BrN2O4S2 MolecularWeight: 467.3567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)SC=C2

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)SC=C2

InChI

InChI=1S/C18H15BrN2O4S2/c1-2-25-15(23)9-13(22)10-27-18-20-14-7-8-26-16(14)17(24)21(18)12-5-3-11(19)4-6-12/h3-8H,2,9-10H2,1H3