[2-[4-(2-hydroxyethyl)phenyl]-6-methyl-1-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone

Systemtic Name: [2-[4-(2-hydroxyethyl)phenyl]-6-methyl-1-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Openeye Name: [2-[4-(2-hydroxyethyl)phenyl]-6-methyl-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone CAS Name: [2-[4-(2-hydroxyethyl)phenyl]-6-methyl-1-benzothiophen-3-yl]-[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methanone IUPAC Name: [2-[4-(2-hydroxyethyl)phenyl]-6-methyl-1-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Traditional Name: [2-[4-(2-hydroxyethyl)phenyl]-6-methyl-benzothiophen-3-yl]-[3-methoxy-4-(pyrrolidinomethyl)phenyl]methanone Formula: C30H31NO3S MolecularWeight: 485.63704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)CCO)C(=O)C4=CC(=C(C=C4)CN5CCCC5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)CCO)C(=O)C4=CC(=C(C=C4)CN5CCCC5)OC

InChI

InChI=1S/C30H31NO3S/c1-20-5-12-25-27(17-20)35-30(22-8-6-21(7-9-22)13-16-32)28(25)29(33)23-10-11-24(26(18-23)34-2)19-31-14-3-4-15-31/h5-12,17-18,32H,3-4,13-16,19H2,1-2H3