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

Systemtic Name: (2-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) 3,4,5-trimethoxybenzoate Openeye Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCCCC3)OC

InChI

InChI=1S/C23H27NO6S/c1-26-18-12-15(22(31)24-10-6-5-7-11-24)8-9-17(18)30-23(25)16-13-19(27-2)21(29-4)20(14-16)28-3/h8-9,12-14H,5-7,10-11H2,1-4H3