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

Systemtic Name: methyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-carbethoxypiperazino)sulfonylbenzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C25H28N4O7S2 MolecularWeight: 560.64242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C25H28N4O7S2/c1-4-29-20-11-8-18(23(31)35-3)16-21(20)37-24(29)26-22(30)17-6-9-19(10-7-17)38(33,34)28-14-12-27(13-15-28)25(32)36-5-2/h6-11,16H,4-5,12-15H2,1-3H3