ethyl 2-[2-(4-cyanophenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-cyanophenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-cyanobenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-cyanophenyl)-oxomethyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-cyanobenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-cyanobenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H17N3O3S/c1-3-26-17(24)12-23-18-13(2)5-4-6-16(18)27-20(23)22-19(25)15-9-7-14(11-21)8-10-15/h4-10H,3,12H2,1-2H3