N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C25H26N4O3S4 MolecularWeight: 558.75894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5CCCN5S(=O)(=O)C6=CC=CS6

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5CCCN5S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C25H26N4O3S4/c1-2-28-13-11-16-20(15-28)35-25(22(16)24-26-17-7-3-4-9-19(17)34-24)27-23(30)18-8-5-12-29(18)36(31,32)21-10-6-14-33-21/h3-4,6-7,9-10,14,18H,2,5,8,11-13,15H2,1H3,(H,27,30)