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

Systemtic Name: ethyl 2-[(4-butoxy-3-methoxy-phenyl)carbonylamino]-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-butoxy-3-methoxy-benzoyl)amino]-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiophene-3-carboxylate CAS Name: 2-[[(4-butoxy-3-methoxyphenyl)-oxomethyl]amino]-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butoxy-3-methoxybenzoyl)amino]-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiophene-3-carboxylate Traditional Name: 2-[(4-butoxy-3-methoxy-benzoyl)amino]-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiophene-3-carboxylic acid ethyl ester Formula: C27H29NO7S MolecularWeight: 511.58666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=CS2)C3COC4=CC=CC=C4O3)C(=O)OCC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=C(C(=CS2)[C@H]3COC4=CC=CC=C4O3)C(=O)OCC)OC

InChI

InChI=1S/C27H29NO7S/c1-4-6-13-33-20-12-11-17(14-22(20)31-3)25(29)28-26-24(27(30)32-5-2)18(16-36-26)23-15-34-19-9-7-8-10-21(19)35-23/h7-12,14,16,23H,4-6,13,15H2,1-3H3,(H,28,29)/t23-/m1/s1