ethyl 5-methoxy-3-(2-thiomorpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-(2-thiomorpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[1-oxo-2-(4-thiomorpholin-4-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-3-25-18(23)17-16(13-10-12(24-2)4-5-14(13)19-17)20-15(22)11-21-6-8-26-9-7-21/h4-5,10,19H,3,6-9,11H2,1-2H3,(H,20,22)/p+1