7-bromanyl-4-(phenylmethyl)thieno[2,3-b]indole-2-carboxylic acid

Systemtic Name: 7-bromanyl-4-(phenylmethyl)thieno[2,3-b]indole-2-carboxylic acid Openeye Name: 4-benzyl-7-bromo-thieno[2,3-b]indole-2-carboxylic acid CAS Name: 7-bromo-4-(phenylmethyl)-2-thieno[2,3-b]indolecarboxylic acid IUPAC Name: 4-benzyl-7-bromothieno[2,3-b]indole-2-carboxylic acid Traditional Name: 4-benzyl-7-bromo-thien[2,3-b]indole-2-carboxylic acid Formula: C18H12BrNO2S MolecularWeight: 386.26238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C4=C2SC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C4=C2SC(=C4)C(=O)O

InChI

InChI=1S/C18H12BrNO2S/c19-12-6-7-15-13(8-12)14-9-16(18(21)22)23-17(14)20(15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)