dimethyl 2-[1-(1,3-benzothiazol-2-yldiazenyl)ethyl]-3-ethanoyl-butanedioate

Systemtic Name: dimethyl 2-[1-(1,3-benzothiazol-2-yldiazenyl)ethyl]-3-ethanoyl-butanedioate Openeye Name: dimethyl 2-acetyl-3-[1-(1,3-benzothiazol-2-ylazo)ethyl]butanedioate CAS Name: 2-acetyl-3-[1-(1,3-benzothiazol-2-ylazo)ethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetyl-3-[1-(1,3-benzothiazol-2-yldiazenyl)ethyl]butanedioate Traditional Name: 2-acetyl-3-[1-(1,3-benzothiazol-2-ylazo)ethyl]succinic acid dimethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)C)C(=O)OC)C(=O)OC)N=NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C(C(C(=O)C)C(=O)OC)C(=O)OC)N=NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H19N3O5S/c1-9(13(15(22)24-3)14(10(2)21)16(23)25-4)19-20-17-18-11-7-5-6-8-12(11)26-17/h5-9,13-14H,1-4H3