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

Systemtic Name: ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(4-carbethoxypiperazino)-2-keto-ethyl]thio]acetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H30N4O6S2 MolecularWeight: 522.6375

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H30N4O6S2/c1-4-27-17-8-7-16(21(30)32-5-2)13-18(17)35-22(27)24-19(28)14-34-15-20(29)25-9-11-26(12-10-25)23(31)33-6-3/h7-8,13H,4-6,9-12,14-15H2,1-3H3