diethyl 2-(6-azanyl-3-oxidanylidene-1,2-benzothiazol-2-yl)pentanedioate

Systemtic Name: diethyl 2-(6-azanyl-3-oxidanylidene-1,2-benzothiazol-2-yl)pentanedioate Openeye Name: diethyl 2-(6-amino-3-oxo-1,2-benzothiazol-2-yl)pentanedioate CAS Name: 2-(6-amino-3-oxo-1,2-benzothiazol-2-yl)pentanedioic acid diethyl ester IUPAC Name: diethyl 2-(6-amino-3-oxo-1,2-benzothiazol-2-yl)pentanedioate Traditional Name: 2-(6-amino-3-keto-1,2-benzothiazol-2-yl)glutaric acid diethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1C(=O)C2=C(S1)C=C(C=C2)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)N1C(=O)C2=C(S1)C=C(C=C2)N

InChI

InChI=1S/C16H20N2O5S/c1-3-22-14(19)8-7-12(16(21)23-4-2)18-15(20)11-6-5-10(17)9-13(11)24-18/h5-6,9,12H,3-4,7-8,17H2,1-2H3