methyl 2-[6-ethoxy-2-[(7-ethoxy-1-benzofuran-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-[(7-ethoxy-1-benzofuran-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(7-ethoxybenzofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(7-ethoxy-2-benzofuranyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(7-ethoxy-1-benzofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(7-ethoxybenzofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(O3)C(=CC=C4)OCC)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(O3)C(=CC=C4)OCC)S2)CC(=O)OC

InChI

InChI=1S/C23H22N2O6S/c1-4-29-15-9-10-16-19(12-15)32-23(25(16)13-20(26)28-3)24-22(27)18-11-14-7-6-8-17(30-5-2)21(14)31-18/h6-12H,4-5,13H2,1-3H3