ethyl 4-[(5-methyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(5-methyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(2-hydroxy-5-methyl-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-hydroxy-5-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-hydroxy-5-methyl-phenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)C)O

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)C)O

InChI

InChI=1S/C14H18N2O4S/c1-3-20-13(19)7-6-12(18)16-14(21)15-10-8-9(2)4-5-11(10)17/h4-5,8,17H,3,6-7H2,1-2H3,(H2,15,16,18,21)