methyl 4-oxidanylidene-4-[(4-propan-2-yloxyphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(4-propan-2-yloxyphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-isopropoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(4-propan-2-yloxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(4-propan-2-yloxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(4-isopropoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C15H20N2O4S/c1-10(2)21-12-6-4-11(5-7-12)16-15(22)17-13(18)8-9-14(19)20-3/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,22)