ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfonylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]sulfonyl-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[2-(4-carbethoxypiperazino)-2-keto-ethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H28N4O8S2 MolecularWeight: 540.60972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C(=O)OCC)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C(=O)OCC)S2)C

InChI

InChI=1S/C22H28N4O8S2/c1-4-33-20(29)15-6-7-16-17(12-15)35-21(24(16)3)23-18(27)13-36(31,32)14-19(28)25-8-10-26(11-9-25)22(30)34-5-2/h6-7,12H,4-5,8-11,13-14H2,1-3H3