2-[2,3-bis(chloranyl)-4-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]phenyl]sulfanyl-phenyl]prop-2-enoic acid

Systemtic Name: 2-[2,3-bis(chloranyl)-4-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]phenyl]sulfanyl-phenyl]prop-2-enoic acid Openeye Name: 2-[4-[2-(3-tert-butoxycarbonyl-1-piperidyl)phenyl]sulfanyl-2,3-dichloro-phenyl]prop-2-enoic acid CAS Name: 2-[2,3-dichloro-4-[[2-[3-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperidinyl]phenyl]thio]phenyl]-2-propenoic acid IUPAC Name: 2-[2,3-dichloro-4-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]phenyl]sulfanylphenyl]prop-2-enoic acid Traditional Name: 2-[4-[[2-(3-tert-butoxycarbonylpiperidino)phenyl]thio]-2,3-dichloro-phenyl]acrylic acid Formula: C25H27Cl2NO4S MolecularWeight: 508.45718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN(C1)C2=CC=CC=C2SC3=C(C(=C(C=C3)C(=C)C(=O)O)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN(C1)C2=CC=CC=C2SC3=C(C(=C(C=C3)C(=C)C(=O)O)Cl)Cl

InChI

InChI=1S/C25H27Cl2NO4S/c1-15(23(29)30)17-11-12-20(22(27)21(17)26)33-19-10-6-5-9-18(19)28-13-7-8-16(14-28)24(31)32-25(2,3)4/h5-6,9-12,16H,1,7-8,13-14H2,2-4H3,(H,29,30)