ethyl 4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoate Openeye Name: ethyl 4-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]benzoate CAS Name: 4-[[5-[(methylthio)methyl]-2-furanyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoate Traditional Name: 4-[[5-[(methylthio)methyl]-2-furyl]methylamino]benzoic acid ethyl ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=CC=C(O2)CSC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=CC=C(O2)CSC

InChI

InChI=1S/C16H19NO3S/c1-3-19-16(18)12-4-6-13(7-5-12)17-10-14-8-9-15(20-14)11-21-2/h4-9,17H,3,10-11H2,1-2H3