[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C(C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)[C@H](C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H25NO4S/c1-13-6-11-18(27-13)17(23)12-26-20(25)14(2)22-19(24)15-7-9-16(10-8-15)21(3,4)5/h6-11,14H,12H2,1-5H3,(H,22,24)/t14-/m0/s1