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

Systemtic Name: ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(4-carbethoxypiperazino)-2-keto-ethyl]thio]acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H28N4O6S2 MolecularWeight: 532.63232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O6S2/c1-4-9-28-18-8-7-17(22(31)33-5-2)14-19(18)36-23(28)25-20(29)15-35-16-21(30)26-10-12-27(13-11-26)24(32)34-6-3/h1,7-8,14H,5-6,9-13,15-16H2,2-3H3