[1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: [1-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-1,3-benzothiazole-6-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-amino-1,3-benzothiazole-6-carboxylate CAS Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [1-[(1,1-dioxo-3-thiolanyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,1-dioxothiolan-3-yl)-methylamino]-1-oxopropan-2-yl] 2-amino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-amino-1,3-benzothiazole-6-carboxylic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C16H19N3O5S2/c1-9(14(20)19(2)11-5-6-26(22,23)8-11)24-15(21)10-3-4-12-13(7-10)25-16(17)18-12/h3-4,7,9,11H,5-6,8H2,1-2H3,(H2,17,18)