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

Systemtic Name: 4-[4-[2-(diphenylmethyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazin-5-yl]butanoic acid Openeye Name: 4-[4-(2-benzhydrylsulfanylethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]butanoic acid CAS Name: 4-[4-[2-[(diphenylmethyl)thio]ethyl]-2,3-dihydro-1,4-benzoxazin-5-yl]butanoic acid IUPAC Name: 4-[4-(2-benzhydrylsulfanylethyl)-2,3-dihydro-1,4-benzoxazin-5-yl]butanoic acid Traditional Name: 4-[4-[2-(benzhydrylthio)ethyl]-2,3-dihydro-1,4-benzoxazin-5-yl]butyric acid Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO3S/c29-25(30)16-8-14-21-13-7-15-24-26(21)28(17-19-31-24)18-20-32-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-7,9-13,15,27H,8,14,16-20H2,(H,29,30)