methyl (2R)-4-[[5-ethyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[[5-ethyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(5-ethyl-2,3-dioxo-indolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(5-ethyl-2,3-dioxo-1-indolyl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(5-ethyl-2,3-diketo-indolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C17H21N2O4S+ MolecularWeight: 349.42464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCSC(C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C17H20N2O4S/c1-3-11-4-5-13-12(8-11)15(20)16(21)19(13)10-18-6-7-24-14(9-18)17(22)23-2/h4-5,8,14H,3,6-7,9-10H2,1-2H3/p+1/t14-/m1/s1