[2-[(2-butylphenyl)amino]sulfanylcarbonyl-1,4-benzodioxin-6-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[(2-butylphenyl)amino]sulfanylcarbonyl-1,4-benzodioxin-6-yl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(2-butylanilino)sulfanylcarbonyl-1,4-benzodioxin-6-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-[[(2-butylanilino)thio]-oxomethyl]-1,4-benzodioxin-6-yl] ester IUPAC Name: [2-(2-butylanilino)sulfanylcarbonyl-1,4-benzodioxin-6-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-[(2-butylanilino)thio]carbonyl-1,4-benzodioxin-6-yl] ester Formula: C29H29NO8S MolecularWeight: 551.60746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NSC(=O)C2=COC3=C(O2)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCCCC1=CC=CC=C1NSC(=O)C2=COC3=C(O2)C=CC(=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C29H29NO8S/c1-5-6-9-18-10-7-8-11-21(18)30-39-29(32)26-17-36-23-16-20(12-13-22(23)38-26)37-28(31)19-14-24(33-2)27(35-4)25(15-19)34-3/h7-8,10-17,30H,5-6,9H2,1-4H3