methyl (2S)-4-[[(2S)-2-ethylhexyl]carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-[[(2S)-2-ethylhexyl]carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-[[(2S)-2-ethylhexyl]carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[[(2S)-2-ethylhexyl]carbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-[[(2S)-2-ethylhexyl]thiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CC(OC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3S/c1-4-6-9-14(5-2)12-20-19(25)21-13-17(18(22)23-3)24-16-11-8-7-10-15(16)21/h7-8,10-11,14,17H,4-6,9,12-13H2,1-3H3,(H,20,25)/t14-,17-/m0/s1