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

Systemtic Name: ethyl 2-[(7-ethoxy-1-benzofuran-2-yl)carbonylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(7-ethoxybenzofuran-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(7-ethoxy-2-benzofuranyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(7-ethoxy-1-benzofuran-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(7-ethoxybenzofuran-2-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H20N2O5S MolecularWeight: 448.491

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O5S/c1-4-12-26-17-11-10-16(23(28)30-6-3)14-20(17)32-24(26)25-22(27)19-13-15-8-7-9-18(29-5-2)21(15)31-19/h1,7-11,13-14H,5-6,12H2,2-3H3