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

Systemtic Name: methyl 3-[6-chloranyl-2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-chloro-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-chloro-2-[(4-cyanophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-chloro-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-chloro-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O3S/c1-26-17(24)8-9-23-15-7-6-14(20)10-16(15)27-19(23)22-18(25)13-4-2-12(11-21)3-5-13/h2-7,10H,8-9H2,1H3