2-(4-chlorophenyl)sulfanylethyl 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C17H15ClN2O3S2 MolecularWeight: 394.8956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O3S2/c1-9-13-15(21)19-10(2)20-16(13)25-14(9)17(22)23-7-8-24-12-5-3-11(18)4-6-12/h3-6H,7-8H2,1-2H3,(H,19,20,21)