3-[[1-oxidanylidene-3-phenyl-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[[1-oxidanylidene-3-phenyl-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-oxo-2-(thiazol-2-ylamino)ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-(2-thiazolylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-oxo-3-phenyl-1-(1,3-thiazol-2-ylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-keto-2-(thiazol-2-ylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=NC=CS2)NC(=O)C3C(N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=NC=CS2)NC(=O)C3C(N3)C(=O)O

InChI

InChI=1S/C16H16N4O4S/c21-13(20-16-17-6-7-25-16)10(8-9-4-2-1-3-5-9)18-14(22)11-12(19-11)15(23)24/h1-7,10-12,19H,8H2,(H,18,22)(H,23,24)(H,17,20,21)