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

Systemtic Name: methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-oxobutyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

InChI

InChI=1S/C23H22N2O6S2/c1-4-13-25-19-12-7-16(22(27)31-3)15-20(19)32-23(25)24-21(26)6-5-14-33(28,29)18-10-8-17(30-2)9-11-18/h1,7-12,15H,5-6,13-14H2,2-3H3