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

Systemtic Name: methyl 6-[[(2S)-2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[(2S)-2-carbamoyl-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]hexanoate CAS Name: 6-[[[(2S)-2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2S)-2-carbamoyl-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]hexanoate Traditional Name: 6-[[(2S)-2-carbamoyl-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]hexanoic acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-23-15(21)9-3-2-6-10-19-17(25)20-11-14(16(18)22)24-13-8-5-4-7-12(13)20/h4-5,7-8,14H,2-3,6,9-11H2,1H3,(H2,18,22)(H,19,25)/t14-/m0/s1