2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7S/c1-25-14-6-10(7-15(26-2)17(14)27-3)19-16(22)9-29-18-20-12-8-11(21(23)24)4-5-13(12)28-18/h4-8H,9H2,1-3H3,(H,19,22)