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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

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