N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(3-nitrophenoxy)ethanamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(3-nitrophenoxy)ethanamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-2-(3-nitrophenoxy)acetamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-2-(3-nitrophenoxy)acetamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(3-nitrophenoxy)acetamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-2-(3-nitrophenoxy)acetamide Formula: C14H14N4O5S2 MolecularWeight: 382.41476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-])SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-])SCC(=O)N

InChI

InChI=1S/C14H14N4O5S2/c1-8-13(24-7-11(15)19)25-14(16-8)17-12(20)6-23-10-4-2-3-9(5-10)18(21)22/h2-5H,6-7H2,1H3,(H2,15,19)(H,16,17,20)