methyl 2-[2-(4-cyanophenyl)carbonylimino-5,6-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-cyanophenyl)carbonylimino-5,6-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-cyanobenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-cyanophenyl)-oxomethyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-cyanobenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-cyanobenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CC(=O)OC

InChI

InChI=1S/C20H17N3O3S/c1-12-8-16-17(9-13(12)2)27-20(23(16)11-18(24)26-3)22-19(25)15-6-4-14(10-21)5-7-15/h4-9H,11H2,1-3H3