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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)CCC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)CCC(=O)OC

InChI

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