[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H18N2O4S/c1-8(2)12(14(19)18-16(17)21)22-15(20)13-9(3)10-6-4-5-7-11(10)23-13/h4-8,12H,1-3H3,(H3,17,18,19,21)/t12-/m0/s1