methyl 7,8-dimethoxy-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylate

Systemtic Name: methyl 7,8-dimethoxy-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylate Openeye Name: methyl 7,8-dimethoxy-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylate CAS Name: 7,8-dimethoxy-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dimethoxy-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylate Traditional Name: 5-(4-ketocyclohexa-2,5-dien-1-ylidene)-7,8-dimethoxy-4H-thien[3,4-c]isoquinoline-3-carboxylic acid methyl ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CSC(=C3NC2=C4C=CC(=O)C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CSC(=C3NC2=C4C=CC(=O)C=C4)C(=O)OC)OC

InChI

InChI=1S/C21H17NO5S/c1-25-16-8-13-14(9-17(16)26-2)18(11-4-6-12(23)7-5-11)22-19-15(13)10-28-20(19)21(24)27-3/h4-10,22H,1-3H3