ethyl 2-[6-ethoxy-2-(3-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-(3-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(3-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-ethoxy-2-m-toluoylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C)S2)CC(=O)OCC

InChI

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