2-phenoxyethyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid 2-phenoxyethyl ester Formula: C24H21BrN2O4S MolecularWeight: 513.40354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OCCOC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2O4S/c1-2-19-21(16-8-10-17(25)11-9-16)22-23(32-19)26-15-27(24(22)29)14-20(28)31-13-12-30-18-6-4-3-5-7-18/h3-11,15H,2,12-14H2,1H3