tert-butyl 3-[2-(2-azanyl-1-oxidanyl-ethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]-2-dibenzothiophen-3-yloxy-propanoate

Systemtic Name: tert-butyl 3-[2-(2-azanyl-1-oxidanyl-ethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]-2-dibenzothiophen-3-yloxy-propanoate Openeye Name: tert-butyl 3-[2-(2-amino-1-hydroxy-ethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]-2-dibenzothiophen-3-yloxy-propanoate CAS Name: 3-[2-(2-amino-1-hydroxyethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]-2-(3-dibenzothiophenyloxy)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(2-amino-1-hydroxyethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-3-yl]-2-dibenzothiophen-3-yloxypropanoate Traditional Name: 3-[2-(2-amino-1-hydroxy-ethyl)-4-mesyl-2,3-dihydro-1,4-benzoxazin-3-yl]-2-dibenzothiophen-3-yloxy-propionic acid tert-butyl ester Formula: C30H34N2O7S2 MolecularWeight: 598.73016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1C(OC2=CC=CC=C2N1S(=O)(=O)C)C(CN)O)OC3=CC4=C(C=C3)C5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1C(OC2=CC=CC=C2N1S(=O)(=O)C)C(CN)O)OC3=CC4=C(C=C3)C5=CC=CC=C5S4

InChI

InChI=1S/C30H34N2O7S2/c1-30(2,3)39-29(34)25(37-18-13-14-20-19-9-5-8-12-26(19)40-27(20)15-18)16-22-28(23(33)17-31)38-24-11-7-6-10-21(24)32(22)41(4,35)36/h5-15,22-23,25,28,33H,16-17,31H2,1-4H3