(2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 3,4,5-trimethoxybenzoate

Systemtic Name: (2-ethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 3,4,5-trimethoxybenzoate Openeye Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-ethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-ethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCCCC2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C24H29NO6S/c1-5-30-19-13-16(23(32)25-11-7-6-8-12-25)9-10-18(19)31-24(26)17-14-20(27-2)22(29-4)21(15-17)28-3/h9-10,13-15H,5-8,11-12H2,1-4H3