methyl 2-[6-acetamido-2-(2,6-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-(2,6-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(2,6-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(2,6-dimethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(2,6-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(2,6-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3OC)OC)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3OC)OC)S2)CC(=O)OC

InChI

InChI=1S/C21H21N3O6S/c1-12(25)22-13-8-9-14-17(10-13)31-21(24(14)11-18(26)30-4)23-20(27)19-15(28-2)6-5-7-16(19)29-3/h5-10H,11H2,1-4H3,(H,22,25)