3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-4-isopropylsulfonyl-5-(methylthio)-2-thenoic acid Formula: C14H21NO6S3 MolecularWeight: 395.51464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(SC(=C1NC(=O)OC(C)(C)C)C(=O)O)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(SC(=C1NC(=O)OC(C)(C)C)C(=O)O)SC

InChI

InChI=1S/C14H21NO6S3/c1-7(2)24(19,20)10-8(15-13(18)21-14(3,4)5)9(11(16)17)23-12(10)22-6/h7H,1-6H3,(H,15,18)(H,16,17)