methyl 3-methyl-4-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 3-methyl-4-[2-(naphthalen-1-ylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 3-methyl-4-[[2-(1-naphthylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 3-methyl-4-[[2-(1-naphthalenylmethylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-methyl-4-[[2-(1-naphthylmethylthio)acetyl]amino]benzoic acid methyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CSCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CSCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H21NO3S/c1-15-12-17(22(25)26-2)10-11-20(15)23-21(24)14-27-13-18-8-5-7-16-6-3-4-9-19(16)18/h3-12H,13-14H2,1-2H3,(H,23,24)