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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-oxobutyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O5S2/c1-3-12-25-18-11-6-15(21(27)30-2)14-19(18)31-22(25)24-20(26)5-4-13-32(28,29)17-9-7-16(23)8-10-17/h3,6-11,14H,1,4-5,12-13H2,2H3