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

Systemtic Name: methyl (2S)-4-(propylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(propylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[propylamino(sulfanylidene)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(propylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(propylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-3-8-15-14(20)16-9-12(13(17)18-2)19-11-7-5-4-6-10(11)16/h4-7,12H,3,8-9H2,1-2H3,(H,15,20)/t12-/m0/s1