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

Systemtic Name: ethyl 3-methyl-2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[1-oxo-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfonylethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonylacetyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[2-keto-2-(4-phenylpiperazino)ethyl]sulfonylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H28N4O6S2 MolecularWeight: 544.64302

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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)C4=CC=CC=C4)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4)S2)C

InChI

InChI=1S/C25H28N4O6S2/c1-3-35-24(32)18-9-10-20-21(15-18)36-25(27(20)2)26-22(30)16-37(33,34)17-23(31)29-13-11-28(12-14-29)19-7-5-4-6-8-19/h4-10,15H,3,11-14,16-17H2,1-2H3