ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]thiomorpholine-3-carboxylate CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]thiomorpholine-3-carboxylate Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)C1CSCCN1CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H24N2O5S/c1-2-23-18(22)14-12-26-9-6-20(14)11-17(21)19-13-4-5-15-16(10-13)25-8-3-7-24-15/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H,19,21)