methyl 3-[(2,4-dimethylphenyl)methylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(2,4-dimethylphenyl)methylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(2,4-dimethylphenyl)methylamino]-3-(2-thienyl)propanoate CAS Name: 3-[(2,4-dimethylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(2,4-dimethylphenyl)methylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(2,4-dimethylbenzyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC(CC(=O)OC)C2=CC=CS2)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC(CC(=O)OC)C2=CC=CS2)C

InChI

InChI=1S/C17H21NO2S/c1-12-6-7-14(13(2)9-12)11-18-15(10-17(19)20-3)16-5-4-8-21-16/h4-9,15,18H,10-11H2,1-3H3