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

Systemtic Name: ethyl 2-[2-(4-cyanophenyl)carbonylimino-4-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-cyanobenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-cyanophenyl)-oxomethyl]imino-4-methoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-cyanobenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-cyanobenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-3-27-17(24)12-23-18-15(26-2)5-4-6-16(18)28-20(23)22-19(25)14-9-7-13(11-21)8-10-14/h4-10H,3,12H2,1-2H3