methyl 3-(thian-4-ylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-(thian-4-ylamino)-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-(tetrahydrothiopyran-4-ylamino)-3-(2-thienyl)propanoate CAS Name: 3-(4-thianylamino)-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-(thian-4-ylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(tetrahydrothiopyran-4-ylamino)-3-(2-thienyl)propionic acid methyl ester Formula: C13H19NO2S2 MolecularWeight: 285.42546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC2CCSCC2

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC2CCSCC2

InChI

InChI=1S/C13H19NO2S2/c1-16-13(15)9-11(12-3-2-6-18-12)14-10-4-7-17-8-5-10/h2-3,6,10-11,14H,4-5,7-9H2,1H3