(phenylmethyl) N-[(2S,3R)-1-(1,3-benzothiazol-6-ylamino)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3R)-1-(1,3-benzothiazol-6-ylamino)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2R)-1-(1,3-benzothiazol-6-ylcarbamoyl)-2-benzyloxy-propyl]carbamate CAS Name: N-[(2S,3R)-1-(1,3-benzothiazol-6-ylamino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3R)-1-(1,3-benzothiazol-6-ylamino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-(1,3-benzothiazol-6-ylcarbamoyl)-2-benzoxy-propyl]carbamic acid benzyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC1=CC2=C(C=C1)N=CS2)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]([C@@H](C(=O)NC1=CC2=C(C=C1)N=CS2)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S/c1-18(32-15-19-8-4-2-5-9-19)24(29-26(31)33-16-20-10-6-3-7-11-20)25(30)28-21-12-13-22-23(14-21)34-17-27-22/h2-14,17-18,24H,15-16H2,1H3,(H,28,30)(H,29,31)/t18-,24+/m1/s1