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

Systemtic Name: ethyl 4-[4-[[6-bromanyl-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[6-bromo-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[6-bromo-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[6-bromo-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[6-bromo-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C24H25BrN4O7S2 MolecularWeight: 625.5119

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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)Br)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)Br)CC(=O)OC

InChI

InChI=1S/C24H25BrN4O7S2/c1-3-36-24(32)27-10-12-28(13-11-27)38(33,34)18-7-4-16(5-8-18)22(31)26-23-29(15-21(30)35-2)19-9-6-17(25)14-20(19)37-23/h4-9,14H,3,10-13,15H2,1-2H3