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

Systemtic Name: methyl (2R)-4-[[5-methyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(5-methyl-2,3-dioxo-indolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(5-methyl-2,3-dioxo-1-indolyl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(5-methyl-2,3-dioxoindol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(2,3-diketo-5-methyl-indolin-1-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C16H19N2O4S+ MolecularWeight: 335.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCSC(C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C16H18N2O4S/c1-10-3-4-12-11(7-10)14(19)15(20)18(12)9-17-5-6-23-13(8-17)16(21)22-2/h3-4,7,13H,5-6,8-9H2,1-2H3/p+1/t13-/m1/s1