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

Systemtic Name: methyl 2-[(7-methoxy-1-benzofuran-2-yl)carbonylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(7-methoxybenzofuran-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(7-methoxy-2-benzofuranyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(7-methoxy-1-benzofuran-2-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(7-methoxybenzofuran-2-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC#C

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC#C

InChI

InChI=1S/C22H16N2O5S/c1-4-10-24-15-9-8-14(21(26)28-3)12-18(15)30-22(24)23-20(25)17-11-13-6-5-7-16(27-2)19(13)29-17/h1,5-9,11-12H,10H2,2-3H3