2-(1,3-benzothiazol-2-ylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propionic acid Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CCCOC3=CC=C(C=C3)CC(C(=O)O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CCCOC3=CC=C(C=C3)CC(C(=O)O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H28N4O3S/c32-26(33)23(31-27-30-22-7-1-2-8-24(22)35-27)17-18-9-13-21(14-10-18)34-16-4-6-20-12-11-19-5-3-15-28-25(19)29-20/h1-2,7-14,23H,3-6,15-17H2,(H,28,29)(H,30,31)(H,32,33)