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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c22-17(19-8-12-9-25-15-3-1-2-4-16(15)26-12)10-28-18-20-13-7-11(21(23)24)5-6-14(13)27-18/h1-7,12H,8-10H2,(H,19,22)