ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[3-(1,3-benzothiazol-2-yl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C35H35N5O5S3 MolecularWeight: 701.8779

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C6=NC7=CC=CC=C7S6

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C6=NC7=CC=CC=C7S6

InChI

InChI=1S/C35H35N5O5S3/c1-2-45-35(42)39-18-20-40(21-19-39)48(43,44)26-14-12-25(13-15-26)32(41)37-34-31(33-36-28-10-6-7-11-29(28)46-33)27-16-17-38(23-30(27)47-34)22-24-8-4-3-5-9-24/h3-15H,2,16-23H2,1H3,(H,37,41)