[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CCOC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CCOC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C21H21N3O5S/c22-14-15-4-1-2-5-16(15)24-20(27)10-12-29-21(28)9-11-23-19(26)8-7-17(25)18-6-3-13-30-18/h1-6,13H,7-12H2,(H,23,26)(H,24,27)