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

Systemtic Name: methyl 3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 3-[[1-oxo-3-(4-thiomorpholin-4-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 3-(3-thiomorpholin-4-ium-4-ylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCSCC3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCSCC3

InChI

InChI=1S/C17H21N3O3S/c1-23-17(22)16-15(12-4-2-3-5-13(12)18-16)19-14(21)6-7-20-8-10-24-11-9-20/h2-5,18H,6-11H2,1H3,(H,19,21)/p+1