methyl 4-(3-carbamothioylphenoxy)butanoate

Systemtic Name: methyl 4-(3-carbamothioylphenoxy)butanoate Openeye Name: methyl 4-(3-carbamothioylphenoxy)butanoate CAS Name: 4-(3-carbamothioylphenoxy)butanoic acid methyl ester IUPAC Name: methyl 4-(3-carbamothioylphenoxy)butanoate Traditional Name: 4-(3-thiocarbamoylphenoxy)butyric acid methyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=CC=CC(=C1)C(=S)N

Isomeric SMILES

COC(=O)CCCOC1=CC=CC(=C1)C(=S)N

InChI

InChI=1S/C12H15NO3S/c1-15-11(14)6-3-7-16-10-5-2-4-9(8-10)12(13)17/h2,4-5,8H,3,6-7H2,1H3,(H2,13,17)