[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenecarboxylic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(S2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(S2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H21NO5S/c1-14-4-3-5-17(12-14)24-22(25)15(2)29-23(26)21-9-8-20(30-21)16-6-7-18-19(13-16)28-11-10-27-18/h3-9,12-13,15H,10-11H2,1-2H3,(H,24,25)