[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(=O)N)OC(=O)CCCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H23N3O4S/c1-11(2)16(17(23)21-18(19)24)25-15(22)10-6-5-9-14-20-12-7-3-4-8-13(12)26-14/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H3,19,21,23,24)/t16-/m0/s1