2-azanyl-7,7-dimethyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-6H-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-azanyl-7,7-dimethyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-6H-1-benzothiophene-3-carboxylic acid Openeye Name: 2-amino-7,7-dimethyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-6H-benzothiophene-3-carboxylic acid CAS Name: 2-amino-7,7-dimethyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-6H-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-amino-7,7-dimethyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-6H-1-benzothiophene-3-carboxylic acid Traditional Name: 2-amino-7,7-dimethyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-6H-benzothiophene-3-carboxylic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC2=C1SC(=C2C(=O)O)N)C=CC3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CC1(CC(=CC2=C1SC(=C2C(=O)O)N)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C22H25NO5S/c1-22(2)11-13(8-14-17(21(24)25)20(23)29-19(14)22)7-6-12-9-15(26-3)18(28-5)16(10-12)27-4/h6-10H,11,23H2,1-5H3,(H,24,25)/b7-6+