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

Systemtic Name: methyl 2-[2-(4-cyanophenyl)carbonylimino-4,6-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-cyanobenzoyl)imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-cyanophenyl)-oxomethyl]imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-cyanobenzoyl)imino-4,6-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-cyanobenzoyl)imino-4,6-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=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)C#N)N2CC(=O)OC)C

InChI

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