3-azanyl-N-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-4-oxidanyl-butanamide

Systemtic Name: 3-azanyl-N-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-4-oxidanyl-butanamide Openeye Name: 3-amino-4-hydroxy-N-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenyl]butanamide CAS Name: 3-amino-4-hydroxy-N-[4-[6-hydroxy-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]butanamide IUPAC Name: 3-amino-4-hydroxy-N-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]butanamide Traditional Name: 3-amino-4-hydroxy-N-[4-[6-hydroxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenyl]butyramide Formula: C31H35N3O4S MolecularWeight: 545.6923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)CC(CO)N)CN5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)CC(CO)N)CN5CCCC5

InChI

InChI=1S/C31H35N3O4S/c1-38-28-15-20(4-5-22(28)18-34-12-2-3-13-34)14-27-26-11-10-25(36)17-29(26)39-31(27)21-6-8-24(9-7-21)33-30(37)16-23(32)19-35/h4-11,15,17,23,35-36H,2-3,12-14,16,18-19,32H2,1H3,(H,33,37)