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

Systemtic Name: methyl 4-[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]butanoate CAS Name: 4-[[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]butanoate Traditional Name: 4-[[(2R)-2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]butyric acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-17-15(21)13-10-19(11-6-3-4-7-12(11)23-13)16(24)18-9-5-8-14(20)22-2/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,17,21)(H,18,24)/t13-/m1/s1