methyl (Z)-3-(3,4-dimethoxyphenyl)-3-(3-phenylsulfanylpropylamino)prop-2-enoate

Systemtic Name: methyl (Z)-3-(3,4-dimethoxyphenyl)-3-(3-phenylsulfanylpropylamino)prop-2-enoate Openeye Name: methyl (Z)-3-(3,4-dimethoxyphenyl)-3-(3-phenylsulfanylpropylamino)prop-2-enoate CAS Name: (Z)-3-(3,4-dimethoxyphenyl)-3-[3-(phenylthio)propylamino]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(3,4-dimethoxyphenyl)-3-(3-phenylsulfanylpropylamino)prop-2-enoate Traditional Name: (Z)-3-(3,4-dimethoxyphenyl)-3-[3-(phenylthio)propylamino]acrylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC(=O)OC)NCCCSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C(=O)OC)/NCCCSC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO4S/c1-24-19-11-10-16(14-20(19)25-2)18(15-21(23)26-3)22-12-7-13-27-17-8-5-4-6-9-17/h4-6,8-11,14-15,22H,7,12-13H2,1-3H3/b18-15-