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

Systemtic Name: methyl 5-methyl-3-(2-thiomorpholin-4-ium-4-ylethanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-2-(4-thiomorpholin-4-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCSCC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCSCC3)C(=O)OC

InChI

InChI=1S/C17H21N3O3S/c1-11-3-4-13-12(9-11)15(16(18-13)17(22)23-2)19-14(21)10-20-5-7-24-8-6-20/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,21)/p+1