N-methyl-4-[2-(4-nitrophenyl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-methyl-4-[2-(4-nitrophenyl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-methyl-4-[2-(4-nitrophenyl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-methyl-4-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-methyl-4-[2-(4-nitrophenyl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-methyl-4-[2-[(4-nitrophenyl)thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-19-18(23)16-10-20(14-4-2-3-5-15(14)26-16)17(22)11-27-13-8-6-12(7-9-13)21(24)25/h2-9,16H,10-11H2,1H3,(H,19,23)