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

Systemtic Name: 3-[[1-oxidanylidene-3-phenyl-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-(2-thiophen-2-ylethylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-oxo-3-phenyl-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-keto-2-[2-(2-thienyl)ethylamino]ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCC2=CC=CS2)NC(=O)C3C(N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCC2=CC=CS2)NC(=O)C3C(N3)C(=O)O

InChI

InChI=1S/C19H21N3O4S/c23-17(20-9-8-13-7-4-10-27-13)14(11-12-5-2-1-3-6-12)21-18(24)15-16(22-15)19(25)26/h1-7,10,14-16,22H,8-9,11H2,(H,20,23)(H,21,24)(H,25,26)