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

Systemtic Name: methyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[4-[(4-fluorophenyl)thio]butanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H21FN2O3S2 MolecularWeight: 444.542143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN2O3S2/c1-3-12-25-18-11-6-15(21(27)28-2)14-19(18)30-22(25)24-20(26)5-4-13-29-17-9-7-16(23)8-10-17/h3,6-11,14H,1,4-5,12-13H2,2H3