methyl (6R)-2-(2-azanylethanoylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-2-(2-azanylethanoylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[(2-aminoacetyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[(2-amino-1-oxoethyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[(2-aminoacetyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-(glycylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN

InChI

InChI=1S/C16H24N2O3S/c1-16(2,3)9-5-6-10-11(7-9)22-14(18-12(19)8-17)13(10)15(20)21-4/h9H,5-8,17H2,1-4H3,(H,18,19)/t9-/m1/s1