ethyl 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[1-(4-fluorophenyl)sulfonylisonipecotoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H26FN3O5S2 MolecularWeight: 531.619443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)S2)CC=C

InChI

InChI=1S/C25H26FN3O5S2/c1-3-13-29-21-10-5-18(24(31)34-4-2)16-22(21)35-25(29)27-23(30)17-11-14-28(15-12-17)36(32,33)20-8-6-19(26)7-9-20/h3,5-10,16-17H,1,4,11-15H2,2H3