methyl (2S)-4-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-[(6-methoxy-6-oxo-hexyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[(6-methoxy-6-oxohexyl)carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-[(6-keto-6-methoxy-hexyl)thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c1-23-16(21)10-4-3-7-11-19-18(26)20-12-15(17(22)24-2)25-14-9-6-5-8-13(14)20/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,19,26)/t15-/m0/s1