3-[2-(5-ethyl-3-oxidanylidene-2-propan-2-yl-1,4-thiazin-4-yl)ethanoylamino]-2-oxidanyl-4-phenyl-butanoate

Systemtic Name: 3-[2-(5-ethyl-3-oxidanylidene-2-propan-2-yl-1,4-thiazin-4-yl)ethanoylamino]-2-oxidanyl-4-phenyl-butanoate Openeye Name: 3-[[2-(5-ethyl-2-isopropyl-3-oxo-1,4-thiazin-4-yl)acetyl]amino]-2-hydroxy-4-phenyl-butanoate CAS Name: 3-[[2-(5-ethyl-3-oxo-2-propan-2-yl-1,4-thiazin-4-yl)-1-oxoethyl]amino]-2-hydroxy-4-phenylbutanoate IUPAC Name: 3-[[2-(5-ethyl-3-oxo-2-propan-2-yl-1,4-thiazin-4-yl)acetyl]amino]-2-hydroxy-4-phenylbutanoate Traditional Name: 3-[[2-(5-ethyl-2-isopropyl-3-keto-1,4-thiazin-4-yl)acetyl]amino]-2-hydroxy-4-phenyl-butyrate Formula: C21H27N2O5S- MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(C(=O)N1CC(=O)NC(CC2=CC=CC=C2)C(C(=O)[O-])O)C(C)C

Isomeric SMILES

CCC1=CSC(C(=O)N1CC(=O)NC(CC2=CC=CC=C2)C(C(=O)[O-])O)C(C)C

InChI

InChI=1S/C21H28N2O5S/c1-4-15-12-29-19(13(2)3)20(26)23(15)11-17(24)22-16(18(25)21(27)28)10-14-8-6-5-7-9-14/h5-9,12-13,16,18-19,25H,4,10-11H2,1-3H3,(H,22,24)(H,27,28)/p-1