methyl 2-methyl-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]benzoate

Systemtic Name: methyl 2-methyl-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]benzoate Openeye Name: methyl 2-methyl-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methyl]benzoate CAS Name: 2-methyl-4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]benzoate Traditional Name: 2-methyl-4-[[2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methyl]benzoic acid methyl ester Formula: C30H31NO3S MolecularWeight: 485.63704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(SC3=CC=CC=C32)C4=CC=C(C=C4)OCCN5CCCC5)C(=O)OC

InChI

InChI=1S/C30H31NO3S/c1-21-19-22(9-14-25(21)30(32)33-2)20-27-26-7-3-4-8-28(26)35-29(27)23-10-12-24(13-11-23)34-18-17-31-15-5-6-16-31/h3-4,7-14,19H,5-6,15-18,20H2,1-2H3