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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 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)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-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)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-10(14(21)19-17(18)23)24-16(22)13-11-6-2-3-7-12(11)25-15(13)20-8-4-5-9-20/h4-5,8-10H,2-3,6-7H2,1H3,(H3,18,19,21,23)/t10-/m1/s1