methyl (6R)-2-[(4-butoxyphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-2-[(4-butoxyphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[(4-butoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[(4-butoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(4-butoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C)C(=O)OC

InChI

InChI=1S/C22H27NO4S/c1-4-5-12-27-16-9-7-15(8-10-16)20(24)23-21-19(22(25)26-3)17-11-6-14(2)13-18(17)28-21/h7-10,14H,4-6,11-13H2,1-3H3,(H,23,24)/t14-/m1/s1