ethyl 3-[[1-oxidanylidene-3-phenyl-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[[1-oxidanylidene-3-phenyl-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-(2-thiophen-2-ylethylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-oxo-3-phenyl-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-keto-2-[2-(2-thienyl)ethylamino]ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H25N3O4S/c1-2-28-21(27)18-17(24-18)20(26)23-16(13-14-7-4-3-5-8-14)19(25)22-11-10-15-9-6-12-29-15/h3-9,12,16-18,24H,2,10-11,13H2,1H3,(H,22,25)(H,23,26)