[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [1-(morpholinomethyl)-2-naphthyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [1-(4-morpholinylmethyl)-2-naphthalenyl] ester IUPAC Name: [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [1-(morpholinomethyl)-2-naphthyl] ester Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=C(C=CC3=CC=CC=C32)OC(=O)CCCSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1CC2=C(C=CC3=CC=CC=C32)OC(=O)CCCSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N2O3S2/c29-25(10-5-17-32-26-27-22-8-3-4-9-24(22)33-26)31-23-12-11-19-6-1-2-7-20(19)21(23)18-28-13-15-30-16-14-28/h1-4,6-9,11-12H,5,10,13-18H2