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

Systemtic Name: (2R)-4-[2-(4-nitrophenyl)sulfanylethanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(4-nitrophenyl)sulfanylacetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(4-nitrophenyl)sulfanylacetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-[(4-nitrophenyl)thio]acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-2-11-21-20(25)18-12-22(16-5-3-4-6-17(16)28-18)19(24)13-29-15-9-7-14(8-10-15)23(26)27/h3-10,18H,2,11-13H2,1H3,(H,21,25)/t18-/m1/s1