methyl (2R)-4-[(phenylmethyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(phenylmethyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(benzylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(benzylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(benzylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-22-17(21)16-12-20(14-9-5-6-10-15(14)23-16)18(24)19-11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,19,24)/t16-/m1/s1