ethyl 5-azanyl-4-cyano-3-[[(2S)-2-[(3-methylphenyl)carbonylamino]propanoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(2S)-2-[(3-methylphenyl)carbonylamino]propanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(2S)-2-[(3-methylbenzoyl)amino]propanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(2S)-2-[(3-methylbenzoyl)amino]propanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2S)-2-(m-toluoylamino)propanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)[C@H](C)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H21N3O5S/c1-4-27-20(26)16-15(14(9-21)17(22)29-16)10-28-19(25)12(3)23-18(24)13-7-5-6-11(2)8-13/h5-8,12H,4,10,22H2,1-3H3,(H,23,24)/t12-/m0/s1