ethyl 5-azanyl-3-[[(2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methyl-1-oxobutoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5S/c1-7-32-24(31)20-18(17(12-26)21(27)34-20)13-33-23(30)19(14(2)3)28-22(29)15-8-10-16(11-9-15)25(4,5)6/h8-11,14,19H,7,13,27H2,1-6H3,(H,28,29)/t19-/m0/s1