[2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)amino]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H22N2O6S/c1-16(27)25-18-5-2-4-17(12-18)24(29)32-15-23(28)26(14-20-6-3-11-33-20)19-7-8-21-22(13-19)31-10-9-30-21/h2-8,11-13H,9-10,14-15H2,1H3,(H,25,27)