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

Systemtic Name: ethyl 2-[[5-(4-bromophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]acetate CAS Name: 2-[[5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]acetate Traditional Name: 2-[[5-(4-bromophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]acetic acid ethyl ester Formula: C17H15BrN2O3S2 MolecularWeight: 439.3466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)N1

Isomeric SMILES

CCOC(=O)CSCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)N1

InChI

InChI=1S/C17H15BrN2O3S2/c1-2-23-14(21)9-24-8-13-19-16(22)15-12(7-25-17(15)20-13)10-3-5-11(18)6-4-10/h3-7H,2,8-9H2,1H3,(H,19,20,22)