methyl 2-[[4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[3-[(3,4-dimethylphenyl)thio]propanoylamino]benzoyl]amino]acetic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC)C

InChI

InChI=1S/C21H24N2O4S/c1-14-4-9-18(12-15(14)2)28-11-10-19(24)23-17-7-5-16(6-8-17)21(26)22-13-20(25)27-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,24)