[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1R)-2-keto-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)OC)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C21H24N2O5S/c1-12(19(25)23-14-7-6-8-15(11-14)27-3)28-21(26)18-16-9-4-5-10-17(16)29-20(18)22-13(2)24/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,22,24)(H,23,25)/t12-/m1/s1