methyl 4-methyl-3-[[(2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoyl]amino]benzoate

Systemtic Name: methyl 4-methyl-3-[[(2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoyl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[(2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]benzoate CAS Name: 4-methyl-3-[[(2S)-3-methyl-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoyl]amino]benzoate Traditional Name: 4-methyl-3-[[(2S)-3-methyl-2-(2-thenoylamino)butanoyl]amino]benzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H22N2O4S/c1-11(2)16(21-17(22)15-6-5-9-26-15)18(23)20-14-10-13(19(24)25-4)8-7-12(14)3/h5-11,16H,1-4H3,(H,20,23)(H,21,22)/t16-/m0/s1