methyl 5-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[2-(2-bromoanilino)-2-oxo-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[2-(2-bromoanilino)-2-oxoethyl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(2-bromoanilino)-2-oxoethyl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[2-(2-bromoanilino)-2-keto-ethyl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC(=O)NC2=CC=CC=C2Br)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSCC(=O)NC2=CC=CC=C2Br)C(=O)OC

InChI

InChI=1S/C16H16BrNO4S/c1-10-12(16(20)21-2)7-11(22-10)8-23-9-15(19)18-14-6-4-3-5-13(14)17/h3-7H,8-9H2,1-2H3,(H,18,19)