[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)CCN1C(=O)CSC2=CC=CC=C21

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)CCN1C(=O)CSC2=CC=CC=C21

InChI

InChI=1S/C18H24N2O4S/c1-3-6-13(2)19-16(21)11-24-18(23)9-10-20-14-7-4-5-8-15(14)25-12-17(20)22/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,19,21)/t13-/m0/s1