methyl 6-methoxy-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methoxy-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 6-methoxy-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[1-oxo-3-(4-thiomorpholin-4-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 6-methoxy-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCSCC3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCSCC3

InChI

InChI=1S/C18H23N3O4S/c1-24-12-3-4-13-14(11-12)19-17(18(23)25-2)16(13)20-15(22)5-6-21-7-9-26-10-8-21/h3-4,11,19H,5-10H2,1-2H3,(H,20,22)/p+1