methyl 5,6-dimethoxy-3-(2-thiomorpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5,6-dimethoxy-3-(2-thiomorpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5,6-dimethoxy-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-2-(4-thiomorpholin-4-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5,6-dimethoxy-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 5,6-dimethoxy-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCSCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCSCC3)OC

InChI

InChI=1S/C18H23N3O5S/c1-24-13-8-11-12(9-14(13)25-2)19-17(18(23)26-3)16(11)20-15(22)10-21-4-6-27-7-5-21/h8-9,19H,4-7,10H2,1-3H3,(H,20,22)/p+1