propan-2-yl 4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]amino]benzoic acid isopropyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H26N2O3S/c1-15(2)26-21(25)17-7-9-18(10-8-17)22-20(24)14-23(3)13-16-5-11-19(27-4)12-6-16/h5-12,15H,13-14H2,1-4H3,(H,22,24)