methyl (2Z)-2-[1-[2-ethylsulfanylethanoyl-(phenylmethyl)amino]ethylidene]hex-5-enoate

Systemtic Name: methyl (2Z)-2-[1-[2-ethylsulfanylethanoyl-(phenylmethyl)amino]ethylidene]hex-5-enoate Openeye Name: methyl (2Z)-2-[1-[benzyl-(2-ethylsulfanylacetyl)amino]ethylidene]hex-5-enoate CAS Name: (2Z)-2-[1-[[2-(ethylthio)-1-oxoethyl]-(phenylmethyl)amino]ethylidene]-5-hexenoic acid methyl ester IUPAC Name: methyl (2Z)-2-[1-[benzyl-(2-ethylsulfanylacetyl)amino]ethylidene]hex-5-enoate Traditional Name: (2Z)-2-[1-[benzyl-[2-(ethylthio)acetyl]amino]ethylidene]hex-5-enoic acid methyl ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)N(CC1=CC=CC=C1)C(=C(CCC=C)C(=O)OC)C

Isomeric SMILES

CCSCC(=O)N(CC1=CC=CC=C1)/C(=C(/CCC=C)\C(=O)OC)/C

InChI

InChI=1S/C20H27NO3S/c1-5-7-13-18(20(23)24-4)16(3)21(19(22)15-25-6-2)14-17-11-9-8-10-12-17/h5,8-12H,1,6-7,13-15H2,2-4H3/b18-16-