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

Systemtic Name: methyl 5-[[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[2-(4-tert-butylanilino)-2-oxo-ethyl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[2-(4-tert-butylanilino)-2-oxoethyl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-tert-butylanilino)-2-oxoethyl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[2-(4-tert-butylanilino)-2-keto-ethyl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCC(=O)NC2=CC=C(C=C2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSCC(=O)NC2=CC=C(C=C2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C20H25NO4S/c1-13-17(19(23)24-5)10-16(25-13)11-26-12-18(22)21-15-8-6-14(7-9-15)20(2,3)4/h6-10H,11-12H2,1-5H3,(H,21,22)