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

Systemtic Name: ethyl 3-[2-(4-cyanophenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-cyanobenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-cyanophenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-cyanobenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-cyanobenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O3S/c1-3-27-19(25)10-11-24-17-9-4-14(2)12-18(17)28-21(24)23-20(26)16-7-5-15(13-22)6-8-16/h4-9,12H,3,10-11H2,1-2H3