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

Systemtic Name: ethyl 4-methyl-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]-4-methyl-thiophene-2-carboxylate CAS Name: 5-[(3R)-3-mercapto-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-4-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylbutyl]thiophene-2-carboxylate Traditional Name: 5-[(3R)-4-(tert-butoxycarbonylamino)-3-mercapto-butyl]-4-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H27NO4S2 MolecularWeight: 373.53058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S2/c1-6-21-15(19)14-9-11(2)13(24-14)8-7-12(23)10-18-16(20)22-17(3,4)5/h9,12,23H,6-8,10H2,1-5H3,(H,18,20)/t12-/m1/s1