ethyl 2-[2-(4-methoxyphenyl)carbonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)carbonylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-methoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-methoxyphenyl)-oxomethyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(5,7-dimethyl-2-p-anisoylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)OC)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)OC)C)C

InChI

InChI=1S/C21H22N2O4S/c1-5-27-18(24)12-23-17-11-13(2)10-14(3)19(17)28-21(23)22-20(25)15-6-8-16(26-4)9-7-15/h6-11H,5,12H2,1-4H3