methyl (2R)-4-(phenethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(phenethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(phenethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[(phenethylamino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(phenethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(phenethylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S/c1-23-18(22)17-13-21(15-9-5-6-10-16(15)24-17)19(25)20-12-11-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,20,25)/t17-/m1/s1