methyl 3-[2-(4-bromophenyl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(4-bromophenyl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4-bromophenyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H16BrNO3S/c1-11-3-4-12(17(21)22-2)9-15(11)19-16(20)10-23-14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H,19,20)