7-[2-oxidanylidene-4-(3-oxidanyl-4-phenyl-butyl)-1,3-thiazinan-3-yl]heptanoic acid

Systemtic Name: 7-[2-oxidanylidene-4-(3-oxidanyl-4-phenyl-butyl)-1,3-thiazinan-3-yl]heptanoic acid Openeye Name: 7-[4-(3-hydroxy-4-phenyl-butyl)-2-oxo-1,3-thiazinan-3-yl]heptanoic acid CAS Name: 7-[4-(3-hydroxy-4-phenylbutyl)-2-oxo-1,3-thiazinan-3-yl]heptanoic acid IUPAC Name: 7-[4-(3-hydroxy-4-phenylbutyl)-2-oxo-1,3-thiazinan-3-yl]heptanoic acid Traditional Name: 7-[4-(3-hydroxy-4-phenyl-butyl)-2-keto-1,3-thiazinan-3-yl]enanthic acid Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)N(C1CCC(CC2=CC=CC=C2)O)CCCCCCC(=O)O

Isomeric SMILES

C1CSC(=O)N(C1CCC(CC2=CC=CC=C2)O)CCCCCCC(=O)O

InChI

InChI=1S/C21H31NO4S/c23-19(16-17-8-4-3-5-9-17)12-11-18-13-15-27-21(26)22(18)14-7-2-1-6-10-20(24)25/h3-5,8-9,18-19,23H,1-2,6-7,10-16H2,(H,24,25)