N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C25H25N3O3S4 MolecularWeight: 543.7443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5CCCN5S(=O)(=O)C6=CC=CS6

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5CCCN5S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C25H25N3O3S4/c1-15-10-11-16-20(14-15)34-25(22(16)24-26-17-6-2-3-8-19(17)33-24)27-23(29)18-7-4-12-28(18)35(30,31)21-9-5-13-32-21/h2-3,5-6,8-9,13,15,18H,4,7,10-12,14H2,1H3,(H,27,29)