methyl 6-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]carbamothioylamino]hexanoate CAS Name: 6-[[[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]carbamothioylamino]hexanoate Traditional Name: 6-[[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H23N3O4S/c1-11-16(22)20-13-10-12(7-8-14(13)24-11)19-17(25)18-9-5-3-4-6-15(21)23-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,20,22)(H2,18,19,25)/t11-/m0/s1