ethyl 2-[6-acetamido-2-(4-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-acetamido-2-(4-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(4-methoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-acetamido-2-p-anisoylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O5S/c1-4-29-19(26)12-24-17-10-7-15(22-13(2)25)11-18(17)30-21(24)23-20(27)14-5-8-16(28-3)9-6-14/h5-11H,4,12H2,1-3H3,(H,22,25)