3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-2-ethyl-3-(phenylmethyl)pentanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-2-ethyl-3-(phenylmethyl)pentanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-benzyl-2-ethyl-pentanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)oxy-oxomethyl]-2-ethyl-3-(phenylmethyl)pentanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyloxycarbonyl)-3-benzyl-2-ethylpentanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)oxycarbonyl-3-benzyl-2-ethyl-valeric acid Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C(CC)(CC1=CC=CC=C1)C(=O)OSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(C(=O)O)C(CC)(CC1=CC=CC=C1)C(=O)OSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23NO4S2/c1-3-16(19(24)25)22(4-2,14-15-10-6-5-7-11-15)20(26)27-29-21-23-17-12-8-9-13-18(17)28-21/h5-13,16H,3-4,14H2,1-2H3,(H,24,25)