2-methoxyethyl 4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(2-ethyl-6-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)CCC(=O)OCCOC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)CCC(=O)OCCOC)C

InChI

InChI=1S/C17H24N2O4S/c1-4-13-7-5-6-12(2)16(13)19-17(24)18-14(20)8-9-15(21)23-11-10-22-3/h5-7H,4,8-11H2,1-3H3,(H2,18,19,20,24)