2-[2-(3,4-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoic acid Openeye Name: 2-[2-(3,4-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid CAS Name: 2-[2-[(3,4-dimethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid IUPAC Name: 2-[2-(3,4-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid Traditional Name: 2-(2-veratroylimino-1,3-benzothiazol-3-yl)acetic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)O)OC

InChI

InChI=1S/C18H16N2O5S/c1-24-13-8-7-11(9-14(13)25-2)17(23)19-18-20(10-16(21)22)12-5-3-4-6-15(12)26-18/h3-9H,10H2,1-2H3,(H,21,22)