O4-tert-butyl O2-(phenylmethyl) 5-azanyl-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-(phenylmethyl) 5-azanyl-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-benzyl O4-tert-butyl 5-amino-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-methylthiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-tert-butyl 5-amino-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-methyl-thiophene-2,4-dicarboxylic acid O2-benzyl ester O4-tert-butyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)(C)C)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)(C)C)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4S/c1-11-13(16(20)23-18(2,3)4)15(19)24-14(11)17(21)22-10-12-8-6-5-7-9-12/h5-9H,10,19H2,1-4H3