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

Systemtic Name: ethyl 3-[2-(4-cyanophenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-cyanobenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-cyanophenyl)-oxomethyl]imino-6-ethyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-cyanobenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-cyanobenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)CCC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)CCC(=O)OCC

InChI

InChI=1S/C22H21N3O3S/c1-3-15-7-10-18-19(13-15)29-22(25(18)12-11-20(26)28-4-2)24-21(27)17-8-5-16(14-23)6-9-17/h5-10,13H,3-4,11-12H2,1-2H3