ethyl 5-azanyl-4-cyano-3-[[2-(3,4-dimethylphenyl)carbonylphenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-(3,4-dimethylphenyl)carbonylphenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(3,4-dimethylbenzoyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-[(3,4-dimethylphenyl)-oxomethyl]phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(3,4-dimethylbenzoyl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(3,4-dimethylbenzoyl)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H22N2O5S/c1-4-31-25(30)22-20(19(12-26)23(27)33-22)13-32-24(29)18-8-6-5-7-17(18)21(28)16-10-9-14(2)15(3)11-16/h5-11H,4,13,27H2,1-3H3