ethyl 3-[(5-methylfuran-2-yl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(5-methylfuran-2-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(5-methyl-2-furyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(5-methyl-2-furanyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-methylfuran-2-yl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(5-methyl-2-furyl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(O2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(O2)C

InChI

InChI=1S/C16H18N2O3S/c1-3-20-15(19)12-5-4-6-13(9-12)18-16(22)17-10-14-8-7-11(2)21-14/h4-9H,3,10H2,1-2H3,(H2,17,18,22)