methyl 3-[2-[2,5-dihydrothiophen-3-ylmethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[2,5-dihydrothiophen-3-ylmethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[N-(2,5-dihydrothiophen-3-ylmethyl)anilino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C17H21NO3S2 MolecularWeight: 351.48354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)N(CC1=CCSC1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSCC(=O)N(CC1=CCSC1)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S2/c1-21-17(20)8-10-23-13-16(19)18(11-14-7-9-22-12-14)15-5-3-2-4-6-15/h2-7H,8-13H2,1H3