ethyl 2-cyano-2-[3-cyano-1,1-bis(oxidanylidene)-2-pentan-3-yl-1,2-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[3-cyano-1,1-bis(oxidanylidene)-2-pentan-3-yl-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[3-cyano-2-(1-ethylpropyl)-1,1-dioxo-1,2-benzothiazol-3-yl]acetate CAS Name: 2-cyano-2-(3-cyano-1,1-dioxo-2-pentan-3-yl-1,2-benzothiazol-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(3-cyano-1,1-dioxo-2-pentan-3-yl-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-cyano-2-[3-cyano-2-(1-ethylpropyl)-1,1-diketo-1,2-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(C2=CC=CC=C2S1(=O)=O)(C#N)C(C#N)C(=O)OCC

Isomeric SMILES

CCC(CC)N1C(C2=CC=CC=C2S1(=O)=O)(C#N)C(C#N)C(=O)OCC

InChI

InChI=1S/C18H21N3O4S/c1-4-13(5-2)21-18(12-20,15(11-19)17(22)25-6-3)14-9-7-8-10-16(14)26(21,23)24/h7-10,13,15H,4-6H2,1-3H3