methyl 3-[2-[(3-methylphenyl)carbonylamino]ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-[(3-methylphenyl)carbonylamino]ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(m-toluoylamino)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-12-5-3-6-13(9-12)18(23)19-11-16(21)20-14(10-17(22)24-2)15-7-4-8-25-15/h3-9,14H,10-11H2,1-2H3,(H,19,23)(H,20,21)