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

Systemtic Name: methyl 3-[2-(4-cyanophenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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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)OC

Isomeric SMILES

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

InChI

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