(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

Systemtic Name: (3-bromanyl-5-ethoxy-4-methoxy-phenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone Openeye Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]methanone CAS Name: (3-bromo-5-ethoxy-4-methoxyphenyl)-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]methanone IUPAC Name: (3-bromo-5-ethoxy-4-methoxyphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone Traditional Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)-[(2S)-2-(2-thienyl)pyrrolidino]methanone Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)N2CCCC2C3=CC=CS3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)N2CCC[C@H]2C3=CC=CS3)Br)OC

InChI

InChI=1S/C18H20BrNO3S/c1-3-23-15-11-12(10-13(19)17(15)22-2)18(21)20-8-4-6-14(20)16-7-5-9-24-16/h5,7,9-11,14H,3-4,6,8H2,1-2H3/t14-/m0/s1