(2R)-2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-(4-prop-2-ynoxyphenyl)propanoic acid

Systemtic Name: (2R)-2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-(4-prop-2-ynoxyphenyl)propanoic acid Openeye Name: (2R)-2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-(4-prop-2-ynoxyphenyl)propanoic acid CAS Name: (2R)-2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-(4-prop-2-ynoxyphenyl)propanoic acid IUPAC Name: (2R)-2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-(4-prop-2-ynoxyphenyl)propanoic acid Traditional Name: (2R)-2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-(4-propargyloxyphenyl)propionic acid Formula: C26H30N2O5S3 MolecularWeight: 546.7218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=C(C=C3)OCC#C)C(=O)O

Isomeric SMILES

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N[C@H](CC3=CC=C(C=C3)OCC#C)C(=O)O

InChI

InChI=1S/C26H30N2O5S3/c1-3-5-6-7-8-16-34-26-27-22-14-13-21(18-24(22)35-26)36(31,32)28-23(25(29)30)17-19-9-11-20(12-10-19)33-15-4-2/h2,9-14,18,23,28H,3,5-8,15-17H2,1H3,(H,29,30)/t23-/m1/s1