4-[[1-[(E)-3-[2,3-bis(chloranyl)-4-(2-methoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidin-4-yl]amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-[[1-[(E)-3-[2,3-bis(chloranyl)-4-(2-methoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidin-4-yl]amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-[[1-[(E)-3-[2,3-dichloro-4-(2-methoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]-4-piperidyl]amino]-4-oxo-2-phenyl-butanoic acid CAS Name: 4-[[1-[(E)-3-[2,3-dichloro-4-[(2-methoxyphenyl)thio]phenyl]-1-oxoprop-2-enyl]-4-piperidinyl]amino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-[[1-[(E)-3-[2,3-dichloro-4-(2-methoxyphenyl)sulfanylphenyl]prop-2-enoyl]piperidin-4-yl]amino]-4-oxo-2-phenylbutanoic acid Traditional Name: 4-[[1-[(E)-3-[2,3-dichloro-4-[(2-methoxyphenyl)thio]phenyl]acryloyl]-4-piperidyl]amino]-4-keto-2-phenyl-butyric acid Formula: C31H30Cl2N2O5S MolecularWeight: 613.5513

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SC2=C(C(=C(C=C2)C=CC(=O)N3CCC(CC3)NC(=O)CC(C4=CC=CC=C4)C(=O)O)Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1SC2=C(C(=C(C=C2)/C=C/C(=O)N3CCC(CC3)NC(=O)CC(C4=CC=CC=C4)C(=O)O)Cl)Cl

InChI

InChI=1S/C31H30Cl2N2O5S/c1-40-24-9-5-6-10-25(24)41-26-13-11-21(29(32)30(26)33)12-14-28(37)35-17-15-22(16-18-35)34-27(36)19-23(31(38)39)20-7-3-2-4-8-20/h2-14,22-23H,15-19H2,1H3,(H,34,36)(H,38,39)/b14-12+