tert-butyl N-[3-[[(E)-3-[6-[(4-hydroxyphenyl)sulfanylmethyl]-3-phenethyloxy-pyridin-2-yl]prop-2-enoyl]amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[[(E)-3-[6-[(4-hydroxyphenyl)sulfanylmethyl]-3-phenethyloxy-pyridin-2-yl]prop-2-enoyl]amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[[(E)-3-[6-[(4-hydroxyphenyl)sulfanylmethyl]-3-phenethyloxy-2-pyridyl]prop-2-enoyl]amino]propyl]carbamate CAS Name: N-[3-[[(E)-3-[6-[[(4-hydroxyphenyl)thio]methyl]-3-phenethyloxy-2-pyridinyl]-1-oxoprop-2-enyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[(E)-3-[6-[(4-hydroxyphenyl)sulfanylmethyl]-3-phenethyloxypyridin-2-yl]prop-2-enoyl]amino]propyl]carbamate Traditional Name: N-[3-[[(E)-3-[6-[[(4-hydroxyphenyl)thio]methyl]-3-phenethyloxy-2-pyridyl]acryloyl]amino]propyl]carbamic acid tert-butyl ester Formula: C31H37N3O5S MolecularWeight: 563.70758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC(=O)C=CC1=C(C=CC(=N1)CSC2=CC=C(C=C2)O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC(=O)/C=C/C1=C(C=CC(=N1)CSC2=CC=C(C=C2)O)OCCC3=CC=CC=C3

InChI

InChI=1S/C31H37N3O5S/c1-31(2,3)39-30(37)33-20-7-19-32-29(36)17-15-27-28(38-21-18-23-8-5-4-6-9-23)16-10-24(34-27)22-40-26-13-11-25(35)12-14-26/h4-6,8-17,35H,7,18-22H2,1-3H3,(H,32,36)(H,33,37)/b17-15+