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

Systemtic Name: methyl 4-methoxy-3-(2-thiomorpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 4-methoxy-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[1-oxo-2-(4-thiomorpholin-4-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCSCC3

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCSCC3

InChI

InChI=1S/C17H21N3O4S/c1-23-12-5-3-4-11-14(12)15(16(18-11)17(22)24-2)19-13(21)10-20-6-8-25-9-7-20/h3-5,18H,6-10H2,1-2H3,(H,19,21)/p+1