methyl 2-[2,6-bis(fluoranyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2,6-bis(fluoranyl)phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,6-difluorobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2,6-difluorophenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,6-difluorobenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,6-difluorobenzoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H12F2N2O3S MolecularWeight: 386.371986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3F)F)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3F)F)S2)CC#C

InChI

InChI=1S/C19H12F2N2O3S/c1-3-9-23-14-8-7-11(18(25)26-2)10-15(14)27-19(23)22-17(24)16-12(20)5-4-6-13(16)21/h1,4-8,10H,9H2,2H3