methyl 5-[(furan-2-ylmethylcarbamothioylamino)methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[(furan-2-ylmethylcarbamothioylamino)methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(2-furylmethylcarbamothioylamino)methyl]-2-methoxy-benzoate CAS Name: 5-[[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(furan-2-ylmethylcarbamothioylamino)methyl]-2-methoxybenzoate Traditional Name: 5-[(2-furfurylthiocarbamoylamino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NCC2=CC=CO2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NCC2=CC=CO2)C(=O)OC

InChI

InChI=1S/C16H18N2O4S/c1-20-14-6-5-11(8-13(14)15(19)21-2)9-17-16(23)18-10-12-4-3-7-22-12/h3-8H,9-10H2,1-2H3,(H2,17,18,23)