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

Systemtic Name: 2-azanyl-5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid Openeye Name: 2-amino-5-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-7,7-dimethyl-6H-benzothiophene-3-carboxylic acid CAS Name: 2-amino-5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-amino-5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid Traditional Name: 2-amino-5-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-7,7-dimethyl-6H-benzothiophene-3-carboxylic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-21(2)11-13(9-14-17(20(23)24)19(22)27-18(14)21)6-5-12-7-8-15(25-3)16(10-12)26-4/h5-10H,11,22H2,1-4H3,(H,23,24)/b6-5+