ethyl 2-[(7-ethoxy-1-benzofuran-2-yl)carbonylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(7-ethoxy-1-benzofuran-2-yl)carbonylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(7-ethoxybenzofuran-2-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(7-ethoxy-2-benzofuranyl)-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(7-ethoxy-1-benzofuran-2-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(7-ethoxybenzofuran-2-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)C

InChI

InChI=1S/C22H20N2O5S/c1-4-27-16-8-6-7-13-11-17(29-19(13)16)20(25)23-22-24(3)15-10-9-14(12-18(15)30-22)21(26)28-5-2/h6-12H,4-5H2,1-3H3