methyl 3-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(3-methoxycarbonylphenyl)methylsulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(3-methoxycarbonylphenyl)methylthio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-methoxycarbonylphenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3-carbomethoxybenzyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C20H21NO5S/c1-13-7-8-16(20(24)26-3)10-17(13)21-18(22)12-27-11-14-5-4-6-15(9-14)19(23)25-2/h4-10H,11-12H2,1-3H3,(H,21,22)