ethyl 5-azanyl-4-cyano-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(5-methylpyrazol-1-yl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C

InChI

InChI=1S/C20H18N4O4S/c1-3-27-20(26)17-16(15(10-21)18(22)29-17)11-28-19(25)13-4-6-14(7-5-13)24-12(2)8-9-23-24/h4-9H,3,11,22H2,1-2H3