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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H22N2O4S/c1-12(2)16(21-17(22)15-5-4-10-26-15)18(23)20-11-13-6-8-14(9-7-13)19(24)25-3/h4-10,12,16H,11H2,1-3H3,(H,20,23)(H,21,22)