methyl 4-[[(S)-furan-2-yl(phenyl)methyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(S)-furan-2-yl(phenyl)methyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(S)-2-furyl(phenyl)methyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(S)-2-furanyl(phenyl)methyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(S)-furan-2-yl(phenyl)methyl]carbamothioylamino]butanoate Traditional Name: 4-[[(S)-2-furyl(phenyl)methyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC(C1=CC=CC=C1)C2=CC=CO2

Isomeric SMILES

COC(=O)CCCNC(=S)N[C@@H](C1=CC=CC=C1)C2=CC=CO2

InChI

InChI=1S/C17H20N2O3S/c1-21-15(20)10-5-11-18-17(23)19-16(14-9-6-12-22-14)13-7-3-2-4-8-13/h2-4,6-9,12,16H,5,10-11H2,1H3,(H2,18,19,23)/t16-/m0/s1