methyl (2S)-2-(diethylcarbamothioylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-(diethylcarbamothioylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-(diethylcarbamothioylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[diethylamino(sulfanylidene)methyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(diethylcarbamothioylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-(diethylthiocarbamoylamino)-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC(CC1=CC=C(C=C1)O)C(=O)OC

Isomeric SMILES

CCN(CC)C(=S)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC

InChI

InChI=1S/C15H22N2O3S/c1-4-17(5-2)15(21)16-13(14(19)20-3)10-11-6-8-12(18)9-7-11/h6-9,13,18H,4-5,10H2,1-3H3,(H,16,21)/t13-/m0/s1