2-methoxyethyl 4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(3-chloro-4-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C15H19ClN2O4S MolecularWeight: 358.84036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCOC)Cl

InChI

InChI=1S/C15H19ClN2O4S/c1-10-3-4-11(9-12(10)16)17-15(23)18-13(19)5-6-14(20)22-8-7-21-2/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19,23)