[4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanoyl]-2-methylsulfanyl-phenyl] benzoate

Systemtic Name: [4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanoyl]-2-methylsulfanyl-phenyl] benzoate Openeye Name: [4-[2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]acetyl]-2-methylsulfanyl-phenyl] benzoate CAS Name: benzoic acid [4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-oxoethyl]-2-(methylthio)phenyl] ester IUPAC Name: [4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]acetyl]-2-methylsulfanylphenyl] benzoate Traditional Name: benzoic acid [4-[2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]acetyl]-2-(methylthio)phenyl] ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C27H29NO4S/c1-19(9-10-20-11-14-23(31-2)15-12-20)28-18-24(29)22-13-16-25(26(17-22)33-3)32-27(30)21-7-5-4-6-8-21/h4-8,11-17,19,28H,9-10,18H2,1-3H3