dimethyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanedioate

Systemtic Name: dimethyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanedioate Openeye Name: dimethyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanedioate CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanedioate Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]succinic acid dimethyl ester Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

COC(=O)C[C@@H](C(=O)OC)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C13H14N2O6S/c1-20-11(16)7-9(13(17)21-2)14-12-8-5-3-4-6-10(8)22(18,19)15-12/h3-6,9H,7H2,1-2H3,(H,14,15)/t9-/m0/s1