ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[(3S)-3-phenylbutanoyl]oxymethyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[[(3S)-3-phenylbutanoyl]oxymethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[(3S)-3-phenylbutanoyl]oxymethyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(3S)-1-oxo-3-phenylbutoxy]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[[(3S)-3-phenylbutanoyl]oxymethyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[(3S)-3-phenylbutanoyl]oxymethyl]thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C[C@H](C)C2=CC=CC=C2)C(=O)NC)N

InChI

InChI=1S/C20H24N2O5S/c1-4-26-20(25)16-14(17(19(24)22-3)28-18(16)21)11-27-15(23)10-12(2)13-8-6-5-7-9-13/h5-9,12H,4,10-11,21H2,1-3H3,(H,22,24)/t12-/m0/s1