N-(2-cyano-4-nitro-phenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide hydrochloride

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide hydrochloride Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide hydrochloride CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]acetamide hydrochloride IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide hydrochloride Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(5-esyl-1,3-benzoxazol-2-yl)thio]acetamide hydrochloride Formula: C18H15ClN4O6S2 MolecularWeight: 482.9179

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N.Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N.Cl

InChI

InChI=1S/C18H14N4O6S2.ClH/c1-2-30(26,27)13-4-6-16-15(8-13)21-18(28-16)29-10-17(23)20-14-5-3-12(22(24)25)7-11(14)9-19;/h3-8H,2,10H2,1H3,(H,20,23);1H