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

Systemtic Name: ethyl (Z)-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C25H27BrN2O6S MolecularWeight: 563.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(C2=C1C(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN(C2=C1C(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C)/NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H27BrN2O6S/c1-6-33-23(29)20(27-24(30)34-25(3,4)5)14-17-15-28(21-9-7-8-19(26)22(17)21)35(31,32)18-12-10-16(2)11-13-18/h7-15H,6H2,1-5H3,(H,27,30)/b20-14-