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

Systemtic Name: ethyl 5-chloranyl-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[ethylamino(sulfanylidene)methyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-(ethylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-(ethylthiocarbamoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C14H16ClN3O2S/c1-3-16-14(21)18-11-9-7-8(15)5-6-10(9)17-12(11)13(19)20-4-2/h5-7,17H,3-4H2,1-2H3,(H2,16,18,21)