(2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)-[4-(2-dimethylaminoethyloxy)phenyl]methanone

Systemtic Name: (2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)-[4-(2-dimethylaminoethyloxy)phenyl]methanone Openeye Name: (2-cycloheptyl-6-methoxy-benzothiophen-3-yl)-[4-(2-dimethylaminoethyloxy)phenyl]methanone CAS Name: (2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)-[4-(2-dimethylaminoethyloxy)phenyl]methanone IUPAC Name: (2-cycloheptyl-6-methoxy-1-benzothiophen-3-yl)-[4-(2-dimethylaminoethyloxy)phenyl]methanone Traditional Name: (2-cycloheptyl-6-methoxy-benzothiophen-3-yl)-[4-(2-dimethylaminoethyloxy)phenyl]methanone Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OC)C4CCCCCC4

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OC)C4CCCCCC4

InChI

InChI=1S/C27H33NO3S/c1-28(2)16-17-31-21-12-10-19(11-13-21)26(29)25-23-15-14-22(30-3)18-24(23)32-27(25)20-8-6-4-5-7-9-20/h10-15,18,20H,4-9,16-17H2,1-3H3