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

Systemtic Name: ethyl 2-[2-(4-cyanophenyl)carbonylimino-4-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-cyanobenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-cyanophenyl)-oxomethyl]imino-4-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-cyanobenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-cyanobenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CC(=O)OCC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CC(=O)OCC

InChI

InChI=1S/C21H19N3O4S/c1-3-27-16-6-5-7-17-19(16)24(13-18(25)28-4-2)21(29-17)23-20(26)15-10-8-14(12-22)9-11-15/h5-11H,3-4,13H2,1-2H3