[2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-nitro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone

Systemtic Name: [2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-nitro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Openeye Name: [6-benzyloxy-2-(dimethylamino)benzothiophen-3-yl]-[3-nitro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone CAS Name: [2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-nitro-4-(1-pyrrolidinylmethyl)phenyl]methanone IUPAC Name: [2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]-[3-nitro-4-(pyrrolidin-1-ylmethyl)phenyl]methanone Traditional Name: [6-benzoxy-2-(dimethylamino)benzothiophen-3-yl]-[3-nitro-4-(pyrrolidinomethyl)phenyl]methanone Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C2=C(S1)C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)CN5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C2=C(S1)C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)CN5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C29H29N3O4S/c1-30(2)29-27(24-13-12-23(17-26(24)37-29)36-19-20-8-4-3-5-9-20)28(33)21-10-11-22(25(16-21)32(34)35)18-31-14-6-7-15-31/h3-5,8-13,16-17H,6-7,14-15,18-19H2,1-2H3