3-[4-[2-(diphenylmethyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazin-5-yl]propanoic acid

Systemtic Name: 3-[4-[2-(diphenylmethyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazin-5-yl]propanoic acid Openeye Name: 3-[4-(2-benzhydrylsulfanylethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]propanoic acid CAS Name: 3-[4-[2-[(diphenylmethyl)thio]ethyl]-2,3-dihydro-1,4-benzoxazin-5-yl]propanoic acid IUPAC Name: 3-[4-(2-benzhydrylsulfanylethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]propanoic acid Traditional Name: 3-[4-[2-(benzhydrylthio)ethyl]-2,3-dihydro-1,4-benzoxazin-5-yl]propionic acid Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2N1CCSC(C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1COC2=CC=CC(=C2N1CCSC(C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C26H27NO3S/c28-24(29)15-14-20-12-7-13-23-25(20)27(16-18-30-23)17-19-31-26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,26H,14-19H2,(H,28,29)