3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,5-dihydro-1,3-thiazol-4-olate

Systemtic Name: 3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,5-dihydro-1,3-thiazol-4-olate Openeye Name: 3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,5-dihydrothiazol-4-olate CAS Name: 3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,5-dihydrothiazol-4-olate IUPAC Name: 3,5-dihydro-2H-1,5-benzothiazepin-4-one; 2,5-dihydro-1,3-thiazol-4-olate Traditional Name: 3,5-dihydro-2H-1,5-benzothiazepin-4-one; 3-thiazolin-4-olate Formula: C12H13N2O2S2- MolecularWeight: 281.37382

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2NC1=O.C1C(=NCS1)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2NC1=O.C1C(=NCS1)[O-]

InChI

InChI=1S/C9H9NOS.C3H5NOS/c11-9-5-6-12-8-4-2-1-3-7(8)10-9;5-3-1-6-2-4-3/h1-4H,5-6H2,(H,10,11);1-2H2,(H,4,5)/p-1