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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-[(3-allyloxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[(3-prop-2-enoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-allyloxyphenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-3-9-23-14-6-4-5-13(12-14)18-17(25)19-15(20)7-8-16(21)24-11-10-22-2/h3-6,12H,1,7-11H2,2H3,(H2,18,19,20,25)