methyl 2-[2-(2,5-dimethylphenyl)carbonylimino-4-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,5-dimethylphenyl)carbonylimino-4-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,5-dimethylbenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2,5-dimethylphenyl)-oxomethyl]imino-4-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,5-dimethylbenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,5-dimethylbenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=C(C=CC(=C3)C)C)N2CC(=O)OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=C(C=CC(=C3)C)C)N2CC(=O)OC

InChI

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