(4-oxidanylidene-4-thiophen-2-yl-butyl) (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [4-keto-4-(2-thienyl)butyl] ester Formula: C24H31NO4S MolecularWeight: 429.57224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCC(=O)C1=CC=CS1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCCC(=O)C1=CC=CS1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H31NO4S/c1-16(2)21(23(28)29-14-6-8-19(26)20-9-7-15-30-20)25-22(27)17-10-12-18(13-11-17)24(3,4)5/h7,9-13,15-16,21H,6,8,14H2,1-5H3,(H,25,27)/t21-/m0/s1