methyl 5-methyl-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[(2S)-1-oxo-2-(4-thiomorpholin-4-iumyl)propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methyl-3-[[(2S)-2-thiomorpholin-4-ium-4-ylpropanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-11-4-5-14-13(10-11)15(16(19-14)18(23)24-3)20-17(22)12(2)21-6-8-25-9-7-21/h4-5,10,12,19H,6-9H2,1-3H3,(H,20,22)/p+1/t12-/m0/s1