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

Systemtic Name: sodium 3-[[1-oxidanylidene-3-phenyl-1-(thiophen-2-ylmethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: sodium 3-[[1-benzyl-2-oxo-2-(2-thienylmethylamino)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: sodium 3-[oxo-[[1-oxo-3-phenyl-1-(thiophen-2-ylmethylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylate IUPAC Name: sodium 3-[[1-oxo-3-phenyl-1-(thiophen-2-ylmethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: sodium 3-[[1-benzyl-2-keto-2-(2-thenylamino)ethyl]carbamoyl]ethylenimine-2-carboxylate Formula: C18H18N3NaO4S MolecularWeight: 395.40799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CS2)NC(=O)C3C(N3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CS2)NC(=O)C3C(N3)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H19N3O4S.Na/c22-16(19-10-12-7-4-8-26-12)13(9-11-5-2-1-3-6-11)20-17(23)14-15(21-14)18(24)25;/h1-8,13-15,21H,9-10H2,(H,19,22)(H,20,23)(H,24,25);/q;+1/p-1