ethyl 2-[4-[[heptyl-[(2-methylsulfanylphenyl)carbamoyl]amino]methyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[4-[[heptyl-[(2-methylsulfanylphenyl)carbamoyl]amino]methyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[4-[[heptyl-[(2-methylsulfanylphenyl)carbamoyl]amino]methyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[[heptyl-[[2-(methylthio)anilino]-oxomethyl]amino]methyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[heptyl-[(2-methylsulfanylphenyl)carbamoyl]amino]methyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[[heptyl-[[2-(methylthio)phenyl]carbamoyl]amino]methyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C28H40N2O4S MolecularWeight: 500.6932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)OCC)C(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)OC(C)(C)C(=O)OCC)C(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C28H40N2O4S/c1-6-8-9-10-13-20-30(27(32)29-24-14-11-12-15-25(24)35-5)21-22-16-18-23(19-17-22)34-28(3,4)26(31)33-7-2/h11-12,14-19H,6-10,13,20-21H2,1-5H3,(H,29,32)