ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[4-(2-methylpropyl)phenyl]carbonyloxymethyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[4-(2-methylpropyl)phenyl]carbonyloxymethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(4-isobutylbenzoyl)oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[[4-(2-methylpropyl)phenyl]-oxomethoxy]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[4-(2-methylpropyl)benzoyl]oxymethyl]thiophene-3-carboxylate Traditional Name: 2-amino-4-[(4-isobutylbenzoyl)oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC=C(C=C2)CC(C)C)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC=C(C=C2)CC(C)C)C(=O)NC)N

InChI

InChI=1S/C21H26N2O5S/c1-5-27-21(26)16-15(17(19(24)23-4)29-18(16)22)11-28-20(25)14-8-6-13(7-9-14)10-12(2)3/h6-9,12H,5,10-11,22H2,1-4H3,(H,23,24)