methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfanyl-3-thiophen-3-yl-propanoate

Systemtic Name: methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfanyl-3-thiophen-3-yl-propanoate Openeye Name: methyl 3-(tert-butoxycarbonylamino)-2-sulfanyl-3-(3-thienyl)propanoate CAS Name: 2-mercapto-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(3-thiophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfanyl-3-thiophen-3-ylpropanoate Traditional Name: 3-(tert-butoxycarbonylamino)-2-mercapto-3-(3-thienyl)propionic acid methyl ester Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CSC=C1)C(C(=O)OC)S

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CSC=C1)C(C(=O)OC)S

InChI

InChI=1S/C13H19NO4S2/c1-13(2,3)18-12(16)14-9(8-5-6-20-7-8)10(19)11(15)17-4/h5-7,9-10,19H,1-4H3,(H,14,16)