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

Systemtic Name: 2-azanyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid Openeye Name: 2-amino-5-[(E)-2-(4-methoxyphenyl)vinyl]-7,7-dimethyl-6H-benzothiophene-3-carboxylic acid CAS Name: 2-amino-5-[(E)-2-(4-methoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-amino-5-[(E)-2-(4-methoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid Traditional Name: 2-amino-5-[(E)-2-(4-methoxyphenyl)vinyl]-7,7-dimethyl-6H-benzothiophene-3-carboxylic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-20(2)11-13(5-4-12-6-8-14(24-3)9-7-12)10-15-16(19(22)23)18(21)25-17(15)20/h4-10H,11,21H2,1-3H3,(H,22,23)/b5-4+