2-methoxyethyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-(m-tolylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(3-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(m-tolylthiocarbamoylamino)butyric acid 2-methoxyethyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C15H20N2O4S/c1-11-4-3-5-12(10-11)16-15(22)17-13(18)6-7-14(19)21-9-8-20-2/h3-5,10H,6-9H2,1-2H3,(H2,16,17,18,22)