ethyl 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[(4-propoxyphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[(4-propoxyphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[(4-propoxybenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[[oxo-(4-propoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[(4-propoxybenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[(4-propoxybenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3COC4=CC=CC=C4O3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)[C@H]3COC4=CC=CC=C4O3)C(=O)OCC

InChI

InChI=1S/C25H25NO6S/c1-3-13-30-17-11-9-16(10-12-17)23(27)26-24-22(25(28)29-4-2)18(15-33-24)21-14-31-19-7-5-6-8-20(19)32-21/h5-12,15,21H,3-4,13-14H2,1-2H3,(H,26,27)/t21-/m1/s1