ethyl 4-[4-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C24H27N5O8S2 MolecularWeight: 577.62988

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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)[N+](=O)[O-])CCOC

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)[N+](=O)[O-])CCOC

InChI

InChI=1S/C24H27N5O8S2/c1-3-37-24(31)26-10-12-27(13-11-26)39(34,35)19-7-4-17(5-8-19)22(30)25-23-28(14-15-36-2)20-9-6-18(29(32)33)16-21(20)38-23/h4-9,16H,3,10-15H2,1-2H3