ethyl 4-[4-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-(2-ethoxy-2-oxo-ethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[3-(2-ethoxy-2-oxoethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-(2-ethoxy-2-oxoethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[3-(2-ethoxy-2-keto-ethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H30N4O9S3 MolecularWeight: 638.7328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C26H30N4O9S3/c1-4-38-23(31)17-30-21-11-10-20(41(3,34)35)16-22(21)40-25(30)27-24(32)18-6-8-19(9-7-18)42(36,37)29-14-12-28(13-15-29)26(33)39-5-2/h6-11,16H,4-5,12-15,17H2,1-3H3