methyl (E)-4-(7-chloranylquinolin-2-yl)-2-[2-[2-(2-oxidanylpropan-2-yl)phenyl]-2-phenyl-1-propyl-3-sulfanylidene-cyclopropyl]but-3-enoate

Systemtic Name: methyl (E)-4-(7-chloranylquinolin-2-yl)-2-[2-[2-(2-oxidanylpropan-2-yl)phenyl]-2-phenyl-1-propyl-3-sulfanylidene-cyclopropyl]but-3-enoate Openeye Name: methyl (E)-4-(7-chloro-2-quinolyl)-2-[2-[2-(1-hydroxy-1-methyl-ethyl)phenyl]-2-phenyl-1-propyl-3-thioxo-cyclopropyl]but-3-enoate CAS Name: (E)-4-(7-chloro-2-quinolinyl)-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]-2-phenyl-1-propyl-3-sulfanylidenecyclopropyl]-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(7-chloroquinolin-2-yl)-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]-2-phenyl-1-propyl-3-sulfanylidenecyclopropyl]but-3-enoate Traditional Name: (E)-4-(7-chloro-2-quinolyl)-2-[2-[2-(1-hydroxy-1-methyl-ethyl)phenyl]-2-phenyl-1-propyl-3-thioxo-cyclopropyl]but-3-enoic acid methyl ester Formula: C35H34ClNO3S MolecularWeight: 584.16736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=S)C1(C2=CC=CC=C2)C3=CC=CC=C3C(C)(C)O)C(C=CC4=NC5=C(C=CC(=C5)Cl)C=C4)C(=O)OC

Isomeric SMILES

CCCC1(C(=S)C1(C2=CC=CC=C2)C3=CC=CC=C3C(C)(C)O)C(/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4)C(=O)OC

InChI

InChI=1S/C35H34ClNO3S/c1-5-21-34(29(31(38)40-4)20-19-26-18-16-23-15-17-25(36)22-30(23)37-26)32(41)35(34,24-11-7-6-8-12-24)28-14-10-9-13-27(28)33(2,3)39/h6-20,22,29,39H,5,21H2,1-4H3/b20-19+