methyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-ethoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(m-phenetylthiocarbamoylamino)butyric acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

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