2-[(3,4,5-triethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3,4,5-triethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C22H28N2O5S/c1-4-27-15-11-13(12-16(28-5-2)19(15)29-6-3)21(26)24-22-18(20(23)25)14-9-7-8-10-17(14)30-22/h11-12H,4-10H2,1-3H3,(H2,23,25)(H,24,26)