ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]thiomorpholine-3-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thiomorpholine-3-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1CSCCN1CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O5S/c1-2-21-16(20)12-9-24-6-5-18(12)8-15(19)17-11-3-4-13-14(7-11)23-10-22-13/h3-4,7,12H,2,5-6,8-10H2,1H3,(H,17,19)