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

Systemtic Name: ethyl 3-[[1-oxidanylidene-3-phenyl-1-(thiophen-2-ylmethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-oxo-2-(2-thienylmethylamino)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-(thiophen-2-ylmethylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-oxo-3-phenyl-1-(thiophen-2-ylmethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-keto-2-(2-thenylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H23N3O4S/c1-2-27-20(26)17-16(23-17)19(25)22-15(11-13-7-4-3-5-8-13)18(24)21-12-14-9-6-10-28-14/h3-10,15-17,23H,2,11-12H2,1H3,(H,21,24)(H,22,25)