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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(SC2=C1CCCC2)N3C=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=C(SC2=C1CCCC2)N3C=CC=C3

InChI

InChI=1S/C19H23N3O4S/c1-11(2)15(16(23)21-19(20)25)26-18(24)14-12-7-3-4-8-13(12)27-17(14)22-9-5-6-10-22/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H3,20,21,23,25)/t15-/m1/s1