3-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 3-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[(1S)-2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[(1S)-2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H20N3O4S- MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C)C

InChI

InChI=1S/C20H21N3O4S/c1-5-13-8-6-7-10(2)15(13)22-17(24)12(4)23-9-21-18-14(19(23)25)11(3)16(28-18)20(26)27/h6-9,12H,5H2,1-4H3,(H,22,24)(H,26,27)/p-1/t12-/m0/s1