7,8-dimethoxy-1-methyl-5-phenyl-thieno[3,4-c]isoquinoline-3-carboxylic acid

Systemtic Name: 7,8-dimethoxy-1-methyl-5-phenyl-thieno[3,4-c]isoquinoline-3-carboxylic acid Openeye Name: 7,8-dimethoxy-1-methyl-5-phenyl-thieno[3,4-c]isoquinoline-3-carboxylic acid CAS Name: 7,8-dimethoxy-1-methyl-5-phenyl-3-thieno[3,4-c]isoquinolinecarboxylic acid IUPAC Name: 7,8-dimethoxy-1-methyl-5-phenylthieno[3,4-c]isoquinoline-3-carboxylic acid Traditional Name: 7,8-dimethoxy-1-methyl-5-phenyl-thien[3,4-c]isoquinoline-3-carboxylic acid Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC(=C(C=C3C(=NC2=C(S1)C(=O)O)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=C2C3=CC(=C(C=C3C(=NC2=C(S1)C(=O)O)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C21H17NO4S/c1-11-17-13-9-15(25-2)16(26-3)10-14(13)18(12-7-5-4-6-8-12)22-19(17)20(27-11)21(23)24/h4-10H,1-3H3,(H,23,24)