ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylphenyl]carbonylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3,4-dimethyl-thiazole-5-carboxylate CAS Name: 2-[[4-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoyl]imino-3,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(4-carbethoxypiperazino)sulfonylbenzoyl]imino-3,4-dimethyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C22H28N4O7S2 MolecularWeight: 524.61032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)S1)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)S1)C)C

InChI

InChI=1S/C22H28N4O7S2/c1-5-32-20(28)18-15(3)24(4)21(34-18)23-19(27)16-7-9-17(10-8-16)35(30,31)26-13-11-25(12-14-26)22(29)33-6-2/h7-10H,5-6,11-14H2,1-4H3