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

Systemtic Name: methyl 2-[6-acetamido-2-(4-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-12(24)21-14-6-9-16-17(10-14)29-20(23(16)11-18(25)28-3)22-19(26)13-4-7-15(27-2)8-5-13/h4-10H,11H2,1-3H3,(H,21,24)