methyl 3-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-(4-bromophenyl)-4-oxo-butanoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[4-(4-bromophenyl)-1,4-dioxobutyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(4-bromophenyl)-4-keto-butanoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H18BrNO4S MolecularWeight: 424.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4S/c1-24-18(23)11-14(16-3-2-10-25-16)20-17(22)9-8-15(21)12-4-6-13(19)7-5-12/h2-7,10,14H,8-9,11H2,1H3,(H,20,22)