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

Systemtic Name: methyl (2R)-4-[[2,3-bis(oxidanylidene)-5-propan-2-yl-indol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(5-isopropyl-2,3-dioxo-indolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(2,3-dioxo-5-propan-2-yl-1-indolyl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(5-isopropyl-2,3-diketo-indolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C18H23N2O4S+ MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-11(2)12-4-5-14-13(8-12)16(21)17(22)20(14)10-19-6-7-25-15(9-19)18(23)24-3/h4-5,8,11,15H,6-7,9-10H2,1-3H3/p+1/t15-/m1/s1