N-[2-(4-chlorophenyl)sulfanylethyl]-2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetamide Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl

InChI

InChI=1S/C17H14ClN3O5S/c18-11-1-4-13(5-2-11)27-8-7-19-16(22)10-20-14-6-3-12(21(24)25)9-15(14)26-17(20)23/h1-6,9H,7-8,10H2,(H,19,22)