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

Systemtic Name: methyl 2-(3-phenoxypropanoylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxo-3-phenoxypropyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-phenoxypropanoylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(3-phenoxypropanoylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C21H20N2O4S/c1-3-12-23-17-10-9-15(20(25)26-2)14-18(17)28-21(23)22-19(24)11-13-27-16-7-5-4-6-8-16/h3-10,14H,1,11-13H2,2H3