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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(4-phenethyloxyphenyl)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[(4-phenethyloxyphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-phenethyloxyanilino)-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[(4-phenethyloxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-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=C(C=C1)OCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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