methyl 7-bromanyl-4-(phenylmethyl)thieno[2,3-b]indole-2-carboxylate

Systemtic Name: methyl 7-bromanyl-4-(phenylmethyl)thieno[2,3-b]indole-2-carboxylate Openeye Name: methyl 4-benzyl-7-bromo-thieno[2,3-b]indole-2-carboxylate CAS Name: 7-bromo-4-(phenylmethyl)-2-thieno[2,3-b]indolecarboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-7-bromothieno[2,3-b]indole-2-carboxylate Traditional Name: 4-benzyl-7-bromo-thien[2,3-b]indole-2-carboxylic acid methyl ester Formula: C19H14BrNO2S MolecularWeight: 400.28896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)N(C3=C2C=C(C=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)N(C3=C2C=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C19H14BrNO2S/c1-23-19(22)17-10-15-14-9-13(20)7-8-16(14)21(18(15)24-17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3