diethyl 2-[(5-bromanyl-1-benzothiophen-3-yl)methyl]-2-formamido-propanedioate

Systemtic Name: diethyl 2-[(5-bromanyl-1-benzothiophen-3-yl)methyl]-2-formamido-propanedioate Openeye Name: diethyl 2-[(5-bromobenzothiophen-3-yl)methyl]-2-formamido-propanedioate CAS Name: 2-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-formamidopropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-bromo-1-benzothiophen-3-yl)methyl]-2-formamidopropanedioate Traditional Name: 2-[(5-bromobenzothiophen-3-yl)methyl]-2-formamido-malonic acid diethyl ester Formula: C17H18BrNO5S MolecularWeight: 428.29752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CSC2=C1C=C(C=C2)Br)(C(=O)OCC)NC=O

Isomeric SMILES

CCOC(=O)C(CC1=CSC2=C1C=C(C=C2)Br)(C(=O)OCC)NC=O

InChI

InChI=1S/C17H18BrNO5S/c1-3-23-15(21)17(19-10-20,16(22)24-4-2)8-11-9-25-14-6-5-12(18)7-13(11)14/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,20)