N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-ethylsulfonyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-ethylsulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-ethylsulfonyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-ethylsulfonylbenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-ethylsulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-6-isopropyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-esyl-benzamide Formula: C26H27N3O3S3 MolecularWeight: 525.70588

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H27N3O3S3/c1-4-35(31,32)18-9-7-8-17(14-18)24(30)28-26-23(25-27-20-10-5-6-11-21(20)33-25)19-12-13-29(16(2)3)15-22(19)34-26/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,28,30)