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

Systemtic Name: 2-azanyl-5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid Openeye Name: 2-amino-5-[(E)-2-(3,4-dichlorophenyl)vinyl]-7,7-dimethyl-6H-benzothiophene-3-carboxylic acid CAS Name: 2-amino-5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-amino-5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid Traditional Name: 2-amino-5-[(E)-2-(3,4-dichlorophenyl)vinyl]-7,7-dimethyl-6H-benzothiophene-3-carboxylic acid Formula: C19H17Cl2NO2S MolecularWeight: 394.31478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl2NO2S/c1-19(2)9-11(4-3-10-5-6-13(20)14(21)8-10)7-12-15(18(23)24)17(22)25-16(12)19/h3-8H,9,22H2,1-2H3,(H,23,24)/b4-3+