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

Systemtic Name: 2-azanyl-5-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid Openeye Name: 2-amino-5-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-7,7-dimethyl-6H-benzothiophene-3-carboxylic acid CAS Name: 2-amino-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-amino-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-7,7-dimethyl-6H-1-benzothiophene-3-carboxylic acid Traditional Name: 2-amino-5-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-7,7-dimethyl-6H-benzothiophene-3-carboxylic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S/c1-20(2)10-12(5-4-11-6-7-14(22)15(9-11)25-3)8-13-16(19(23)24)18(21)26-17(13)20/h4-9,22H,10,21H2,1-3H3,(H,23,24)/b5-4+