ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-fluorophenyl)thio]butanoylimino]-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H21FN2O3S2 MolecularWeight: 456.552843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)F)S2)CC#C

InChI

InChI=1S/C23H21FN2O3S2/c1-3-13-26-19-12-7-16(22(28)29-4-2)15-20(19)31-23(26)25-21(27)6-5-14-30-18-10-8-17(24)9-11-18/h1,7-12,15H,4-6,13-14H2,2H3