2-aminocarbonyl-7-(1,3-benzothiazol-2-yl)-2-(5-naphthalen-2-ylpentoxymethyl)heptanoic acid

Systemtic Name: 2-aminocarbonyl-7-(1,3-benzothiazol-2-yl)-2-(5-naphthalen-2-ylpentoxymethyl)heptanoic acid Openeye Name: 7-(1,3-benzothiazol-2-yl)-2-carbamoyl-2-[5-(2-naphthyl)pentoxymethyl]heptanoic acid CAS Name: 7-(1,3-benzothiazol-2-yl)-2-carbamoyl-2-[5-(2-naphthalenyl)pentoxymethyl]heptanoic acid IUPAC Name: 7-(1,3-benzothiazol-2-yl)-2-carbamoyl-2-(5-naphthalen-2-ylpentoxymethyl)heptanoic acid Traditional Name: 7-(1,3-benzothiazol-2-yl)-2-carbamoyl-2-[5-(2-naphthyl)pentoxymethyl]enanthic acid Formula: C31H36N2O4S MolecularWeight: 532.69354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCCCCOCC(CCCCCC3=NC4=CC=CC=C4S3)(C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCCCCOCC(CCCCCC3=NC4=CC=CC=C4S3)(C(=O)N)C(=O)O

InChI

InChI=1S/C31H36N2O4S/c32-29(34)31(30(35)36,19-9-1-4-16-28-33-26-14-7-8-15-27(26)38-28)22-37-20-10-2-3-11-23-17-18-24-12-5-6-13-25(24)21-23/h5-8,12-15,17-18,21H,1-4,9-11,16,19-20,22H2,(H2,32,34)(H,35,36)