ethyl 2-[(1S)-1-(2-bromophenyl)sulfanylethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(1S)-1-(2-bromophenyl)sulfanylethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(2-bromophenyl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-[(2-bromophenyl)thio]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(2-bromophenyl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-[(2-bromophenyl)thio]ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17BrN2O3S2 MolecularWeight: 453.37318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=CC=CC=C3Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SC3=CC=CC=C3Br)C

InChI

InChI=1S/C18H17BrN2O3S2/c1-4-24-18(23)14-9(2)13-16(22)20-15(21-17(13)26-14)10(3)25-12-8-6-5-7-11(12)19/h5-8,10H,4H2,1-3H3,(H,20,21,22)/t10-/m0/s1