ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)thiazol-4-yl]acetate CAS Name: 2-[2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)thiazol-4-yl]acetic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

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