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

Systemtic Name: 2-azanyl-N-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-3-oxidanyl-propanamide Openeye Name: 2-amino-3-hydroxy-N-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenyl]propanamide CAS Name: 2-amino-3-hydroxy-N-[4-[6-hydroxy-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]propanamide IUPAC Name: 2-amino-3-hydroxy-N-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]propanamide Traditional Name: 2-amino-3-hydroxy-N-[4-[6-hydroxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenyl]propionamide Formula: C30H33N3O4S MolecularWeight: 531.66572

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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)C(CO)N)CN5CCCC5

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O4S/c1-37-27-15-19(4-5-21(27)17-33-12-2-3-13-33)14-25-24-11-10-23(35)16-28(24)38-29(25)20-6-8-22(9-7-20)32-30(36)26(31)18-34/h4-11,15-16,26,34-35H,2-3,12-14,17-18,31H2,1H3,(H,32,36)