methyl 2-[(4-acetamidophenyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[(4-acetamidophenyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(4-acetamidophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(4-acetamidophenyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-acetamidophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(4-acetamidophenyl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=C(C=C3)NC(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=C(C=C3)NC(=O)C)C(=O)OC

InChI

InChI=1S/C18H17N3O4S2/c1-9-14-16(23)20-13(21-17(14)27-15(9)18(24)25-3)8-26-12-6-4-11(5-7-12)19-10(2)22/h4-7H,8H2,1-3H3,(H,19,22)(H,20,21,23)