phenethyl 4-(furan-2-ylmethylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-(furan-2-ylmethylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(2-furylmethylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-(furan-2-ylmethylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(2-furfurylthiocarbamoylamino)-4-keto-butyric acid phenethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NCC2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C18H20N2O4S/c21-16(20-18(25)19-13-15-7-4-11-23-15)8-9-17(22)24-12-10-14-5-2-1-3-6-14/h1-7,11H,8-10,12-13H2,(H2,19,20,21,25)