[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C21H23ClN2O5S/c1-14(21(28)24-13-15-4-6-16(22)7-5-15)29-20(27)10-11-23-19(26)9-8-17(25)18-3-2-12-30-18/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)(H,24,28)