[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-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 (1-allophanoyl-2-methyl-propyl) ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

InChI

InChI=1S/C17H23N3O5S/c1-8(2)13(14(22)20-17(18)24)25-16(23)12-10-6-4-5-7-11(10)26-15(12)19-9(3)21/h8,13H,4-7H2,1-3H3,(H,19,21)(H3,18,20,22,24)