methyl 5-[[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[2-(4-bromo-3-methylanilino)-2-oxoethyl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSCC2=CC(=C(O2)C)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSCC2=CC(=C(O2)C)C(=O)OC)Br

InChI

InChI=1S/C17H18BrNO4S/c1-10-6-12(4-5-15(10)18)19-16(20)9-24-8-13-7-14(11(2)23-13)17(21)22-3/h4-7H,8-9H2,1-3H3,(H,19,20)