methyl (2S)-4-(butylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(butylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(butylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[butylamino(sulfanylidene)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(butylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(butylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CCCCNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C15H20N2O3S/c1-3-4-9-16-15(21)17-10-13(14(18)19-2)20-12-8-6-5-7-11(12)17/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,21)/t13-/m0/s1