methyl 4-[2-[[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[4-(methylthio)-2-(o-anisoylamino)butanoyl]amino]ethyl]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C23H28N2O5S/c1-29-20-7-5-4-6-18(20)21(26)25-19(13-15-31-3)22(27)24-14-12-16-8-10-17(11-9-16)23(28)30-2/h4-11,19H,12-15H2,1-3H3,(H,24,27)(H,25,26)