methyl 6-[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]hexanoate CAS Name: 6-[[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]hexanoate Traditional Name: 6-[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]hexanoic acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H25N3O4S/c1-19-17(23)15-12-21(13-8-5-6-9-14(13)25-15)18(26)20-11-7-3-4-10-16(22)24-2/h5-6,8-9,15H,3-4,7,10-12H2,1-2H3,(H,19,23)(H,20,26)/t15-/m1/s1