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

Systemtic Name: ethyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-ethoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(m-phenetylthiocarbamoylamino)butyric acid ethyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-3-20-12-7-5-6-11(10-12)16-15(22)17-13(18)8-9-14(19)21-4-2/h5-7,10H,3-4,8-9H2,1-2H3,(H2,16,17,18,22)