methyl 7,8-dimethoxy-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylate

Systemtic Name: methyl 7,8-dimethoxy-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylate Openeye Name: methyl 7,8-dimethoxy-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylate CAS Name: 7,8-dimethoxy-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dimethoxy-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4H-thieno[3,4-c]isoquinoline-3-carboxylate Traditional Name: 5-(6-ketocyclohexa-2,4-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=CC4=O)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CSC(=C3NC2=C4C=CC=CC4=O)C(=O)OC)OC

InChI

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