ethyl 5-chloranyl-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[methylamino(sulfanylidene)methyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-(methylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-(methylthiocarbamoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=S)NC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=S)NC

InChI

InChI=1S/C13H14ClN3O2S/c1-3-19-12(18)11-10(17-13(20)15-2)8-6-7(14)4-5-9(8)16-11/h4-6,16H,3H2,1-2H3,(H2,15,17,20)