methyl 2-[2-(6-bromanyl-2-methoxy-naphthalen-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(6-bromanyl-2-methoxy-naphthalen-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(6-bromo-2-methoxy-1-naphthyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(6-bromo-2-methoxy-1-naphthalenyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(6-bromo-2-methoxy-1-naphthyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C23H22BrNO4S/c1-28-18-10-7-13-11-14(24)8-9-15(13)17(18)12-20(26)25-22-21(23(27)29-2)16-5-3-4-6-19(16)30-22/h7-11H,3-6,12H2,1-2H3,(H,25,26)