methyl 3-[(4-decoxyphenyl)carbonylamino]-4-methylsulfanyl-benzoate

Systemtic Name: methyl 3-[(4-decoxyphenyl)carbonylamino]-4-methylsulfanyl-benzoate Openeye Name: methyl 3-[(4-decoxybenzoyl)amino]-4-methylsulfanyl-benzoate CAS Name: 3-[[(4-decoxyphenyl)-oxomethyl]amino]-4-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-decoxybenzoyl)amino]-4-methylsulfanylbenzoate Traditional Name: 3-[(4-decoxybenzoyl)amino]-4-(methylthio)benzoic acid methyl ester Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)SC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)SC

InChI

InChI=1S/C26H35NO4S/c1-4-5-6-7-8-9-10-11-18-31-22-15-12-20(13-16-22)25(28)27-23-19-21(26(29)30-2)14-17-24(23)32-3/h12-17,19H,4-11,18H2,1-3H3,(H,27,28)