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

Systemtic Name: ethyl 4-[4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-(2-methoxy-2-oxo-ethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[3-(2-methoxy-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-methoxy-2-oxoethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[3-(2-keto-2-methoxy-ethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C25H28N4O9S3 MolecularWeight: 624.70622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC(=O)OC

InChI

InChI=1S/C25H28N4O9S3/c1-4-38-25(32)27-11-13-28(14-12-27)41(35,36)18-7-5-17(6-8-18)23(31)26-24-29(16-22(30)37-2)20-10-9-19(40(3,33)34)15-21(20)39-24/h5-10,15H,4,11-14,16H2,1-3H3