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

Systemtic Name: (2R)-4-[2-(4-methoxyphenyl)sulfanylethanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(4-methoxyphenyl)sulfanylacetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(4-methoxyphenyl)sulfanylacetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-[(4-methoxyphenyl)thio]acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-3-12-22-21(25)19-13-23(17-6-4-5-7-18(17)27-19)20(24)14-28-16-10-8-15(26-2)9-11-16/h4-11,19H,3,12-14H2,1-2H3,(H,22,25)/t19-/m1/s1