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

Systemtic Name: 8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one Openeye Name: 8-(methylamino)-6-(oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one CAS Name: 8-(methylamino)-6-(4-oxazolylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one IUPAC Name: 8-(methylamino)-6-(1,3-oxazol-4-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one Traditional Name: 8-(methylamino)-6-(oxazol-4-ylmethyl)-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=COC=N3)C=CS2

Isomeric SMILES

CNC1C2=C(CCN(C1=O)CC3=COC=N3)C=CS2

InChI

InChI=1S/C13H15N3O2S/c1-14-11-12-9(3-5-19-12)2-4-16(13(11)17)6-10-7-18-8-15-10/h3,5,7-8,11,14H,2,4,6H2,1H3