[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-oxo-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-keto-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl] ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H23NO5S/c1-16-5-7-17(8-6-16)23(21-4-2-13-31-21)25-22(26)15-30-24(27)18-9-10-19-20(14-18)29-12-3-11-28-19/h2,4-10,13-14,23H,3,11-12,15H2,1H3,(H,25,26)