3-azanylidene-8,9-dimethoxy-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carboxylic acid hydrate

Systemtic Name: 3-azanylidene-8,9-dimethoxy-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carboxylic acid hydrate Openeye Name: 3-imino-8,9-dimethoxy-5,6-dihydrothiazolo[4,3-a]isoquinoline-1-carboxylic acid hydrate CAS Name: 3-imino-8,9-dimethoxy-5,6-dihydrothiazolo[4,3-a]isoquinoline-1-carboxylic acid hydrate IUPAC Name: 3-imino-8,9-dimethoxy-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinoline-1-carboxylic acid hydrate Traditional Name: 3-imino-8,9-dimethoxy-5,6-dihydrothiazol[4,3-a]isoquinoline-1-carboxylic acid hydrate Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=C(SC3=N)C(=O)O)OC.O

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=C(SC3=N)C(=O)O)OC.O

InChI

InChI=1S/C14H14N2O4S.H2O/c1-19-9-5-7-3-4-16-11(8(7)6-10(9)20-2)12(13(17)18)21-14(16)15;/h5-6,15H,3-4H2,1-2H3,(H,17,18);1H2