methyl (Z)-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

Systemtic Name: methyl (Z)-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Openeye Name: methyl (Z)-3-[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]-2-(tert-butoxycarbonylamino)prop-2-enoate CAS Name: (Z)-3-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Traditional Name: (Z)-3-(4-bromo-1-tosyl-indol-3-yl)-2-(tert-butoxycarbonylamino)acrylic acid methyl ester Formula: C24H25BrN2O6S MolecularWeight: 549.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)C=C(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)/C=C(/C(=O)OC)\NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H25BrN2O6S/c1-15-9-11-17(12-10-15)34(30,31)27-14-16(21-18(25)7-6-8-20(21)27)13-19(22(28)32-5)26-23(29)33-24(2,3)4/h6-14H,1-5H3,(H,26,29)/b19-13-