diethyl 2-(1,2-benzothiazol-3-yl)-2-cyano-butanedioate

Systemtic Name: diethyl 2-(1,2-benzothiazol-3-yl)-2-cyano-butanedioate Openeye Name: diethyl 2-(1,2-benzothiazol-3-yl)-2-cyano-butanedioate CAS Name: 2-(1,2-benzothiazol-3-yl)-2-cyanobutanedioic acid diethyl ester IUPAC Name: diethyl 2-(1,2-benzothiazol-3-yl)-2-cyanobutanedioate Traditional Name: 2-(1,2-benzothiazol-3-yl)-2-cyano-succinic acid diethyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C#N)(C1=NSC2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(C#N)(C1=NSC2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C16H16N2O4S/c1-3-21-13(19)9-16(10-17,15(20)22-4-2)14-11-7-5-6-8-12(11)23-18-14/h5-8H,3-4,9H2,1-2H3