(2-piperidin-1-ylcarbothioylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: (2-piperidin-1-ylcarbothioylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-(piperidine-1-carbothioyl)phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-(piperidine-1-carbothioyl)phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid [2-(piperidine-1-carbothioyl)phenyl] ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC=CC=C2C(=S)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OC2=CC=CC=C2C(=S)N3CCCCC3)OC

InChI

InChI=1S/C23H25NO4S/c1-26-20-12-10-17(16-21(20)27-2)11-13-22(25)28-19-9-5-4-8-18(19)23(29)24-14-6-3-7-15-24/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3/b13-11+