[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3)NC

InChI

InChI=1S/C17H18N2O5S/c1-10-15(16(18-2)25-19-10)17(21)24-9-12(20)11-4-5-13-14(8-11)23-7-3-6-22-13/h4-5,8,18H,3,6-7,9H2,1-2H3