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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(3-phenethyloxyanilino)-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-phenethyloxyphenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-27-14-15-29-21(26)11-10-20(25)24-22(30)23-18-8-5-9-19(16-18)28-13-12-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3,(H2,23,24,25,30)