ethyl 5-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-butyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-butyl]thiophene-2-carboxylate Openeye Name: ethyl 5-[(3R)-4-(tert-butoxycarbonylamino)-3-sulfanyl-butyl]thiophene-2-carboxylate CAS Name: 5-[(3R)-3-mercapto-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylbutyl]thiophene-2-carboxylate Traditional Name: 5-[(3R)-4-(tert-butoxycarbonylamino)-3-mercapto-butyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H25NO4S2 MolecularWeight: 359.504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)CCC(CNC(=O)OC(C)(C)C)S

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)CC[C@H](CNC(=O)OC(C)(C)C)S

InChI

InChI=1S/C16H25NO4S2/c1-5-20-14(18)13-9-8-12(23-13)7-6-11(22)10-17-15(19)21-16(2,3)4/h8-9,11,22H,5-7,10H2,1-4H3,(H,17,19)/t11-/m1/s1