3-phenylpropyl 5-(furan-2-ylmethylcarbamothioylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-(furan-2-ylmethylcarbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(2-furylmethylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(furan-2-ylmethylcarbamothioylamino)-5-oxopentanoate Traditional Name: 5-(2-furfurylthiocarbamoylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NCC2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C20H24N2O4S/c23-18(22-20(27)21-15-17-10-6-13-25-17)11-4-12-19(24)26-14-5-9-16-7-2-1-3-8-16/h1-3,6-8,10,13H,4-5,9,11-12,14-15H2,(H2,21,22,23,27)