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

Systemtic Name: ethyl 3-[2-(4-cyanophenyl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-cyanobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-cyanophenyl)-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-cyanobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-cyanobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-3-28-19(25)10-11-24-17-9-8-16(27-2)12-18(17)29-21(24)23-20(26)15-6-4-14(13-22)5-7-15/h4-9,12H,3,10-11H2,1-2H3