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

Systemtic Name: methyl 3-[(4-methylsulfanylphenyl)methylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(4-methylsulfanylphenyl)methylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[4-(methylthio)phenyl]methylamino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4-methylsulfanylphenyl)methylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(methylthio)benzyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C16H19NO2S2 MolecularWeight: 321.45756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NCC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H19NO2S2/c1-19-16(18)10-14(15-4-3-9-21-15)17-11-12-5-7-13(20-2)8-6-12/h3-9,14,17H,10-11H2,1-2H3