1-methyl-N-[4-[3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: 1-methyl-N-[4-[3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[4-[6-hydroxy-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenyl]-1-methyl-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[4-[6-hydroxy-3-[[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]-1-methyl-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[4-[6-hydroxy-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[4-[6-hydroxy-3-[3-methyl-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenyl]-5-keto-1-methyl-pyrrolidine-2-carboxamide Formula: C33H35N3O3S MolecularWeight: 553.7143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)C5CCC(=O)N5C)CN6CCCC6

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)C5CCC(=O)N5C)CN6CCCC6

InChI

InChI=1S/C33H35N3O3S/c1-21-17-22(5-6-24(21)20-36-15-3-4-16-36)18-28-27-12-11-26(37)19-30(27)40-32(28)23-7-9-25(10-8-23)34-33(39)29-13-14-31(38)35(29)2/h5-12,17,19,29,37H,3-4,13-16,18,20H2,1-2H3,(H,34,39)