methyl (Z)-5-[[2-(ethylsulfanylmethyl)phenyl]carbonyl-methyl-amino]pent-2-enoate

Systemtic Name: methyl (Z)-5-[[2-(ethylsulfanylmethyl)phenyl]carbonyl-methyl-amino]pent-2-enoate Openeye Name: methyl (Z)-5-[[2-(ethylsulfanylmethyl)benzoyl]-methyl-amino]pent-2-enoate CAS Name: (Z)-5-[[[2-[(ethylthio)methyl]phenyl]-oxomethyl]-methylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (Z)-5-[[2-(ethylsulfanylmethyl)benzoyl]-methylamino]pent-2-enoate Traditional Name: (Z)-5-[[2-[(ethylthio)methyl]benzoyl]-methyl-amino]pent-2-enoic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC=CC=C1C(=O)N(C)CCC=CC(=O)OC

Isomeric SMILES

CCSCC1=CC=CC=C1C(=O)N(C)CC/C=C\C(=O)OC

InChI

InChI=1S/C17H23NO3S/c1-4-22-13-14-9-5-6-10-15(14)17(20)18(2)12-8-7-11-16(19)21-3/h5-7,9-11H,4,8,12-13H2,1-3H3/b11-7-