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

Systemtic Name: methyl 2-methyl-5-[[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[2-(3-nitroanilino)-2-oxo-ethyl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[[2-(3-nitroanilino)-2-oxoethyl]thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[2-(3-nitroanilino)-2-oxoethyl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 5-[[[2-keto-2-(3-nitroanilino)ethyl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H16N2O6S/c1-10-14(16(20)23-2)7-13(24-10)8-25-9-15(19)17-11-4-3-5-12(6-11)18(21)22/h3-7H,8-9H2,1-2H3,(H,17,19)