methyl (Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-[2-ethylsulfanylethanoyl-(phenylmethyl)amino]but-2-enoate

Systemtic Name: methyl (Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-[2-ethylsulfanylethanoyl-(phenylmethyl)amino]but-2-enoate Openeye Name: methyl (Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl-(2-ethylsulfanylacetyl)amino]but-2-enoate CAS Name: (Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(ethylthio)-1-oxoethyl]-(phenylmethyl)amino]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl-(2-ethylsulfanylacetyl)amino]but-2-enoate Traditional Name: (Z)-3-[benzyl-[2-(ethylthio)acetyl]amino]-2-piperonyl-but-2-enoic acid methyl ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)N(CC1=CC=CC=C1)C(=C(CC2=CC3=C(C=C2)OCO3)C(=O)OC)C

Isomeric SMILES

CCSCC(=O)N(CC1=CC=CC=C1)/C(=C(/CC2=CC3=C(C=C2)OCO3)\C(=O)OC)/C

InChI

InChI=1S/C24H27NO5S/c1-4-31-15-23(26)25(14-18-8-6-5-7-9-18)17(2)20(24(27)28-3)12-19-10-11-21-22(13-19)30-16-29-21/h5-11,13H,4,12,14-16H2,1-3H3/b20-17-