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

Systemtic Name: methyl 2-[4-(phenylmethyl)sulfonylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-benzylsulfonylbutanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylsulfonylbutanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylimino)-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C23H22N2O5S2/c1-3-13-25-19-12-11-18(22(27)30-2)15-20(19)31-23(25)24-21(26)10-7-14-32(28,29)16-17-8-5-4-6-9-17/h1,4-6,8-9,11-12,15H,7,10,13-14,16H2,2H3