methyl 4-[[2-(ethylsulfanylmethyl)phenyl]carbonyl-phenethyl-amino]-2-methylidene-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-(ethylsulfanylmethyl)phenyl]carbonyl-phenethyl-amino]-2-methylidene-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-(ethylsulfanylmethyl)benzoyl]-phenethyl-amino]-2-methylene-4-oxo-butanoate CAS Name: 4-[[[2-[(ethylthio)methyl]phenyl]-oxomethyl]-phenethylamino]-2-methylene-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(ethylsulfanylmethyl)benzoyl]-phenethylamino]-2-methylidene-4-oxobutanoate Traditional Name: 2-[2-[[2-[(ethylthio)methyl]benzoyl]-phenethyl-amino]-2-keto-ethyl]acrylic acid methyl ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC=CC=C1C(=O)N(CCC2=CC=CC=C2)C(=O)CC(=C)C(=O)OC

Isomeric SMILES

CCSCC1=CC=CC=C1C(=O)N(CCC2=CC=CC=C2)C(=O)CC(=C)C(=O)OC

InChI

InChI=1S/C24H27NO4S/c1-4-30-17-20-12-8-9-13-21(20)23(27)25(15-14-19-10-6-5-7-11-19)22(26)16-18(2)24(28)29-3/h5-13H,2,4,14-17H2,1,3H3