2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H21N3O5S/c1-11-8-16(21-26-11)20-18(23)12(2)27-10-17(22)19-13-4-5-14-15(9-13)25-7-3-6-24-14/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,19,22)(H,20,21,23)