methyl 5-[2-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(1-p-anisyltetrazol-5-yl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NN=NN2CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NN=NN2CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N5O4S/c1-11-16(19(27)29-5)12(2)21-17(11)18(26)13(3)30-20-22-23-24-25(20)10-14-6-8-15(28-4)9-7-14/h6-9,13,21H,10H2,1-5H3