2-methoxyethyl 4-oxidanylidene-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[(3-benzyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(3-phenylmethoxyanilino)-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[(3-phenylmethoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-benzoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-26-12-13-27-20(25)11-10-19(24)23-21(29)22-17-8-5-9-18(14-17)28-15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H2,22,23,24,29)