methyl 5-chloranyl-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[1-oxo-3-(4-thiomorpholin-4-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C17H21ClN3O3S+ MolecularWeight: 382.88494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CC[NH+]3CCSCC3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CC[NH+]3CCSCC3

InChI

InChI=1S/C17H20ClN3O3S/c1-24-17(23)16-15(12-10-11(18)2-3-13(12)19-16)20-14(22)4-5-21-6-8-25-9-7-21/h2-3,10,19H,4-9H2,1H3,(H,20,22)/p+1