(4-oxidanylidene-4-thiophen-2-yl-butyl) (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCC(=O)C1=CC=CS1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCCC(=O)C1=CC=CS1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-15(2)20(22-19(24)14-16-8-4-3-5-9-16)21(25)26-12-6-10-17(23)18-11-7-13-27-18/h3-5,7-9,11,13,15,20H,6,10,12,14H2,1-2H3,(H,22,24)/t20-/m0/s1