[(1S,2R)-2-(aminomethyl)-1-thiophen-3-yl-cyclopropyl]-(1,4-benzoxazin-4-yl)methanone

Systemtic Name: [(1S,2R)-2-(aminomethyl)-1-thiophen-3-yl-cyclopropyl]-(1,4-benzoxazin-4-yl)methanone Openeye Name: [(1S,2R)-2-(aminomethyl)-1-(3-thienyl)cyclopropyl]-(1,4-benzoxazin-4-yl)methanone CAS Name: [(1S,2R)-2-(aminomethyl)-1-(3-thiophenyl)cyclopropyl]-(1,4-benzoxazin-4-yl)methanone IUPAC Name: [(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(1,4-benzoxazin-4-yl)methanone Traditional Name: [(1S,2R)-2-(aminomethyl)-1-(3-thienyl)cyclopropyl]-(1,4-benzoxazin-4-yl)methanone Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(C2=CSC=C2)C(=O)N3C=COC4=CC=CC=C43)CN

Isomeric SMILES

C1[C@H]([C@@]1(C2=CSC=C2)C(=O)N3C=COC4=CC=CC=C43)CN

InChI

InChI=1S/C17H16N2O2S/c18-10-13-9-17(13,12-5-8-22-11-12)16(20)19-6-7-21-15-4-2-1-3-14(15)19/h1-8,11,13H,9-10,18H2/t13-,17+/m0/s1