[(3S)-1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]piperidin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S)-1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]piperidin-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-1-(3,5-dimethylbenzofuran-2-carbonyl)-3-piperidyl]-(2-thienyl)methanone CAS Name: [(3S)-1-[(3,5-dimethyl-2-benzofuranyl)-oxomethyl]-3-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidin-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-1-(3,5-dimethylbenzofuran-2-carbonyl)-3-piperidyl]-(2-thienyl)methanone Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCCC(C3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC[C@@H](C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21NO3S/c1-13-7-8-17-16(11-13)14(2)20(25-17)21(24)22-9-3-5-15(12-22)19(23)18-6-4-10-26-18/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3/t15-/m0/s1