[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC=C(S1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O4S2/c1-9(2)14(15(22)21-18(19)24)25-17(23)13-8-7-12(26-13)16-20-10-5-3-4-6-11(10)27-16/h3-9,14H,1-2H3,(H3,19,21,22,24)/t14-/m1/s1