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

Systemtic Name: ethyl 2-[(3,4-dimethoxyphenyl)carbonylamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 5-methyl-2-(veratroylamino)-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=C1CC(CC2)C)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

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