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

Systemtic Name: (2R)-4-[2-(4-ethoxyphenyl)sulfanylethanoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(4-ethoxyphenyl)sulfanylacetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(4-ethoxyphenyl)sulfanylacetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-(p-phenetylthio)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-3-13-23-22(26)20-14-24(18-7-5-6-8-19(18)28-20)21(25)15-29-17-11-9-16(10-12-17)27-4-2/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,26)/t20-/m1/s1