ethyl 2-[(2-chlorophenyl)carbothioylamino]-3-methyl-butanoate

Systemtic Name: ethyl 2-[(2-chlorophenyl)carbothioylamino]-3-methyl-butanoate Openeye Name: ethyl 2-[(2-chlorobenzenecarbothioyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-sulfanylidenemethyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorobenzenecarbothioyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chlorothiobenzoyl)amino]-3-methyl-butyric acid ethyl ester Formula: C14H18ClNO2S MolecularWeight: 299.81622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=S)C1=CC=CC=C1Cl

Isomeric SMILES

CCOC(=O)C(C(C)C)NC(=S)C1=CC=CC=C1Cl

InChI

InChI=1S/C14H18ClNO2S/c1-4-18-14(17)12(9(2)3)16-13(19)10-7-5-6-8-11(10)15/h5-9,12H,4H2,1-3H3,(H,16,19)