phenethyl 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-oxo-3-[2-oxo-2-(p-tolylsulfonylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(tosylamino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H23N3O6S2 MolecularWeight: 525.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O6S2/c1-16-8-10-19(11-9-16)36(32,33)27-20(29)14-28-15-26-23-21(24(28)30)17(2)22(35-23)25(31)34-13-12-18-6-4-3-5-7-18/h3-11,15H,12-14H2,1-2H3,(H,27,29)