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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)[N+](=O)[O-])OC

InChI

InChI=1S/C24H27N5O8S2/c1-4-28-21-19(36-3)14-17(29(32)33)15-20(21)38-23(28)25-22(30)16-6-8-18(9-7-16)39(34,35)27-12-10-26(11-13-27)24(31)37-5-2/h6-9,14-15H,4-5,10-13H2,1-3H3