ethyl 3-(5-chloranyl-3-sulfanylidene-cyclohexa-1,5-dien-1-yl)-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(5-chloranyl-3-sulfanylidene-cyclohexa-1,5-dien-1-yl)-1H-indole-2-carboxylate Openeye Name: ethyl 3-(5-chloro-3-thioxo-cyclohexa-1,5-dien-1-yl)-1H-indole-2-carboxylate CAS Name: 3-(5-chloro-3-sulfanylidene-1-cyclohexa-1,5-dienyl)-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(5-chloro-3-sulfanylidenecyclohexa-1,5-dien-1-yl)-1H-indole-2-carboxylate Traditional Name: 3-(5-chloro-3-thioxo-cyclohexa-1,5-dien-1-yl)-1H-indole-2-carboxylic acid ethyl ester Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)C3=CC(=S)CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)C3=CC(=S)CC(=C3)Cl

InChI

InChI=1S/C17H14ClNO2S/c1-2-21-17(20)16-15(10-7-11(18)9-12(22)8-10)13-5-3-4-6-14(13)19-16/h3-8,19H,2,9H2,1H3