methyl (2S)-2-[2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[1-(4-hydroxyphenyl)tetrazol-5-yl]thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)O

InChI

InChI=1S/C19H19N5O4S/c1-28-18(27)16(11-13-5-3-2-4-6-13)20-17(26)12-29-19-21-22-23-24(19)14-7-9-15(25)10-8-14/h2-10,16,25H,11-12H2,1H3,(H,20,26)/t16-/m0/s1