methyl 3-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-[(4-bromobenzoyl)amino]propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H19BrN2O4S MolecularWeight: 439.32346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O4S/c1-25-17(23)11-14(15-3-2-10-26-15)21-16(22)8-9-20-18(24)12-4-6-13(19)7-5-12/h2-7,10,14H,8-9,11H2,1H3,(H,20,24)(H,21,22)