ethyl 2-[6-acetamido-2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-acetamido-2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(4-cyanophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N4O4S/c1-3-29-19(27)12-25-17-9-8-16(23-13(2)26)10-18(17)30-21(25)24-20(28)15-6-4-14(11-22)5-7-15/h4-10H,3,12H2,1-2H3,(H,23,26)