methyl (Z)-3-(dimethylamino)-2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]prop-2-enoate

Systemtic Name: methyl (Z)-3-(dimethylamino)-2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]prop-2-enoate Openeye Name: methyl (Z)-3-(dimethylamino)-2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]prop-2-enoate CAS Name: (Z)-3-(dimethylamino)-2-[2-[(2,6-dimethylphenyl)methylthio]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(dimethylamino)-2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]prop-2-enoate Traditional Name: (Z)-3-(dimethylamino)-2-[2-[(2,6-dimethylbenzyl)thio]phenyl]acrylic acid methyl ester Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CSC2=CC=CC=C2C(=CN(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)CSC2=CC=CC=C2/C(=C/N(C)C)/C(=O)OC

InChI

InChI=1S/C21H25NO2S/c1-15-9-8-10-16(2)19(15)14-25-20-12-7-6-11-17(20)18(13-22(3)4)21(23)24-5/h6-13H,14H2,1-5H3/b18-13-