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

Systemtic Name: ethyl 5-methoxy-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[1-oxo-3-(4-thiomorpholin-4-iumyl)propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-3-26-19(24)18-17(14-12-13(25-2)4-5-15(14)20-18)21-16(23)6-7-22-8-10-27-11-9-22/h4-5,12,20H,3,6-11H2,1-2H3,(H,21,23)/p+1