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

Systemtic Name: ethyl 4-[4-[[3-(2-methoxy-2-oxidanylidene-ethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-(2-methoxy-2-oxo-ethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[3-(2-methoxy-2-oxoethyl)-6-nitro-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-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[3-(2-keto-2-methoxy-ethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C24H25N5O9S2 MolecularWeight: 591.6134

Click to see the large picture

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-])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)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C24H25N5O9S2/c1-3-38-24(32)26-10-12-27(13-11-26)40(35,36)18-7-4-16(5-8-18)22(31)25-23-28(15-21(30)37-2)19-9-6-17(29(33)34)14-20(19)39-23/h4-9,14H,3,10-13,15H2,1-2H3