methyl 2-[(6-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(6-bromo-3-methyl-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-bromo-3-methyl-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H18BrNO4S MolecularWeight: 448.33022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C20H18BrNO4S/c1-10-12-8-7-11(21)9-14(12)26-17(10)18(23)22-19-16(20(24)25-2)13-5-3-4-6-15(13)27-19/h7-9H,3-6H2,1-2H3,(H,22,23)