2-(4-chlorophenyl)sulfanylethyl 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate CAS Name: 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate Traditional Name: 2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C17H13ClN2O6S MolecularWeight: 408.81292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCOC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCOC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)Cl

InChI

InChI=1S/C17H13ClN2O6S/c18-11-1-4-13(5-2-11)27-8-7-25-16(21)10-19-14-6-3-12(20(23)24)9-15(14)26-17(19)22/h1-6,9H,7-8,10H2