2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxoethyl]thio]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[2-[(4-ethoxycarbonylphenyl)methylamino]-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-[(4-carbethoxybenzyl)amino]-2-keto-ethyl]thio]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H18N3O6S2- MolecularWeight: 460.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

InChI

InChI=1S/C20H19N3O6S2/c1-3-29-19(28)12-6-4-11(5-7-12)8-21-13(24)9-30-20-22-16(25)14-10(2)15(18(26)27)31-17(14)23-20/h4-7H,3,8-9H2,1-2H3,(H,21,24)(H,26,27)(H,22,23,25)/p-1