3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-N-ethyl-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-N-ethyl-3-(2-thienyl)propionamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CC(C3=CC=CS3)NC(=O)C

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CC(C3=CC=CS3)NC(=O)C

InChI

InChI=1S/C21H25N3O5S/c1-3-24(21(27)12-16(22-14(2)25)19-5-4-10-30-19)13-20(26)23-15-6-7-17-18(11-15)29-9-8-28-17/h4-7,10-11,16H,3,8-9,12-13H2,1-2H3,(H,22,25)(H,23,26)