methyl 3-methyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoate

Systemtic Name: methyl 3-methyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoate Openeye Name: methyl 3-methyl-4-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]benzoate CAS Name: 3-methyl-4-[[5-[(methylthio)methyl]-2-furanyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzoate Traditional Name: 3-methyl-4-[[5-[(methylthio)methyl]-2-furyl]methylamino]benzoic acid methyl ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC2=CC=C(O2)CSC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC2=CC=C(O2)CSC

InChI

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