methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-3-hydroxy-propanoate CAS Name: 2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-3-hydroxypropanoate Traditional Name: 2-[(2,5-dimethylphenyl)thiocarbamoylamino]-3-hydroxy-propionic acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-8-4-5-9(2)10(6-8)14-13(19)15-11(7-16)12(17)18-3/h4-6,11,16H,7H2,1-3H3,(H2,14,15,19)