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

Systemtic Name: ethyl 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[[(4-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(p-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1[C@H]2COC3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H21NO5S/c1-3-27-23(26)20-16(19-12-28-17-6-4-5-7-18(17)29-19)13-30-22(20)24-21(25)15-10-8-14(2)9-11-15/h4-11,13,19H,3,12H2,1-2H3,(H,24,25)/t19-/m1/s1