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

Systemtic Name: propyl (6R)-2-[(4-methoxyphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl (6R)-2-[(4-methoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl (6R)-2-[(4-methoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-(p-anisoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO4S/c1-4-11-26-21(24)18-16-10-5-13(2)12-17(16)27-20(18)22-19(23)14-6-8-15(25-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3,(H,22,23)/t13-/m1/s1