8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one

Systemtic Name: 8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one Openeye Name: 6-(isoxazol-5-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one CAS Name: 6-(5-isoxazolylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one IUPAC Name: 8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one Traditional Name: 6-(isoxazol-5-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-thien[2,3-d]azepin-7-one Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CNC1C2=C(CCN(C1=O)CC3=CC=NO3)C=CS2

Isomeric SMILES

CNC1C2=C(CCN(C1=O)CC3=CC=NO3)C=CS2

InChI

InChI=1S/C13H15N3O2S/c1-14-11-12-9(4-7-19-12)3-6-16(13(11)17)8-10-2-5-15-18-10/h2,4-5,7,11,14H,3,6,8H2,1H3