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

Systemtic Name: ethyl (6R)-2-[(2,4-dimethoxyphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(2,4-dimethoxyphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(2,4-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-5-27-21(24)18-15-8-6-12(2)10-17(15)28-20(18)22-19(23)14-9-7-13(25-3)11-16(14)26-4/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,22,23)/t12-/m1/s1