2-chloranylhexadecyl 3-aminocarbonyl-4-oxidanyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxylate

Systemtic Name: 2-chloranylhexadecyl 3-aminocarbonyl-4-oxidanyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]naphthalene-2-carboxylate Openeye Name: 2-chlorohexadecyl 3-carbamoyl-4-hydroxy-1-(1-phenyltetrazol-5-yl)sulfanyl-naphthalene-2-carboxylate CAS Name: 3-carbamoyl-4-hydroxy-1-[(1-phenyl-5-tetrazolyl)thio]-2-naphthalenecarboxylic acid 2-chlorohexadecyl ester IUPAC Name: 2-chlorohexadecyl 3-carbamoyl-4-hydroxy-1-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxylate Traditional Name: 3-carbamoyl-4-hydroxy-1-[(1-phenyltetrazol-5-yl)thio]naphthalene-2-carboxylic acid 2-chlorohexadecyl ester Formula: C35H44ClN5O4S MolecularWeight: 666.27296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(COC(=O)C1=C(C2=CC=CC=C2C(=C1C(=O)N)O)SC3=NN=NN3C4=CC=CC=C4)Cl

Isomeric SMILES

CCCCCCCCCCCCCCC(COC(=O)C1=C(C2=CC=CC=C2C(=C1C(=O)N)O)SC3=NN=NN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C35H44ClN5O4S/c1-2-3-4-5-6-7-8-9-10-11-12-14-19-25(36)24-45-34(44)30-29(33(37)43)31(42)27-22-17-18-23-28(27)32(30)46-35-38-39-40-41(35)26-20-15-13-16-21-26/h13,15-18,20-23,25,42H,2-12,14,19,24H2,1H3,(H2,37,43)