methyl 4-[[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]butanoate CAS Name: 4-[[[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]butyric acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)N3CCCCC3

Isomeric SMILES

COC(=O)CCCNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)N3CCCCC3

InChI

InChI=1S/C20H27N3O4S/c1-26-18(24)10-7-11-21-20(28)23-14-17(19(25)22-12-5-2-6-13-22)27-16-9-4-3-8-15(16)23/h3-4,8-9,17H,2,5-7,10-14H2,1H3,(H,21,28)/t17-/m0/s1