ethyl 4-[4-[(5-ethoxycarbonyl-4-methyl-3-thiocyanato-thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(5-ethoxycarbonyl-4-methyl-3-thiocyanato-thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(5-ethoxycarbonyl-4-methyl-3-thiocyanato-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(5-ethoxycarbonyl-4-methyl-3-thiocyanato-2-thiophenyl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(5-ethoxycarbonyl-4-methyl-3-thiocyanatothiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(5-carbethoxy-4-methyl-3-thiocyanato-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C23H26N4O7S3 MolecularWeight: 566.67014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OCC)SC#N)C

InChI

InChI=1S/C23H26N4O7S3/c1-4-33-22(29)19-15(3)18(35-14-24)21(36-19)25-20(28)16-6-8-17(9-7-16)37(31,32)27-12-10-26(11-13-27)23(30)34-5-2/h6-9H,4-5,10-13H2,1-3H3,(H,25,28)