methyl 3-(2-azanylbutanoylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-(2-azanylbutanoylamino)-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-(2-aminobutanoylamino)-3-(2-thienyl)propanoate CAS Name: 3-[(2-amino-1-oxobutyl)amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-(2-aminobutanoylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(2-aminobutanoylamino)-3-(2-thienyl)propionic acid methyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)OC)C1=CC=CS1)N

Isomeric SMILES

CCC(C(=O)NC(CC(=O)OC)C1=CC=CS1)N

InChI

InChI=1S/C12H18N2O3S/c1-3-8(13)12(16)14-9(7-11(15)17-2)10-5-4-6-18-10/h4-6,8-9H,3,7,13H2,1-2H3,(H,14,16)