[4-[(E)-(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [4-[(E)-(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate Openeye Name: [4-[(E)-(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [4-[(E)-(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-[(E)-(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C25H25NO3S2 MolecularWeight: 451.6009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C\C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)/SC1=S

InChI

InChI=1S/C25H25NO3S2/c1-2-3-4-8-17-26-24(28)22(31-25(26)30)18-20-11-14-21(15-12-20)29-23(27)16-13-19-9-6-5-7-10-19/h5-7,9-16,18H,2-4,8,17H2,1H3/b16-13+,22-18+