methyl 2-(1-benzofuran-2-ylcarbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(1-benzofuran-2-ylcarbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(benzofuran-2-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-benzofuranyl(oxo)methyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-benzofuran-2-carbonylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(benzofuran-2-carbonylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC=C

InChI

InChI=1S/C21H16N2O4S/c1-3-10-23-15-9-8-14(20(25)26-2)12-18(15)28-21(23)22-19(24)17-11-13-6-4-5-7-16(13)27-17/h3-9,11-12H,1,10H2,2H3