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

Systemtic Name: methyl 4-oxidanylidene-4-[(4-propan-2-yloxyphenyl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(4-isopropoxyphenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(4-propan-2-yloxyphenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(4-isopropoxybenzyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-11(2)22-13-6-4-12(5-7-13)10-17-16(23)18-14(19)8-9-15(20)21-3/h4-7,11H,8-10H2,1-3H3,(H2,17,18,19,23)