[6-methoxy-2-(3-methylcyclohexyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone

Systemtic Name: [6-methoxy-2-(3-methylcyclohexyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Openeye Name: [6-methoxy-2-(3-methylcyclohexyl)benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone CAS Name: [6-methoxy-2-(3-methylcyclohexyl)-1-benzothiophen-3-yl]-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone IUPAC Name: [6-methoxy-2-(3-methylcyclohexyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone Traditional Name: [6-methoxy-2-(3-methylcyclohexyl)benzothiophen-3-yl]-[4-(2-pyrrolidinoethoxy)phenyl]methanone Formula: C29H35NO3S MolecularWeight: 477.6581

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1CCCC(C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C29H35NO3S/c1-20-6-5-7-22(18-20)29-27(25-13-12-24(32-2)19-26(25)34-29)28(31)21-8-10-23(11-9-21)33-17-16-30-14-3-4-15-30/h8-13,19-20,22H,3-7,14-18H2,1-2H3