methyl 4-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[[2-keto-2-(2-methylindolin-1-yl)ethyl]thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=NN3C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H19N5O3S/c1-13-11-15-5-3-4-6-17(15)24(13)18(26)12-29-20-21-22-23-25(20)16-9-7-14(8-10-16)19(27)28-2/h3-10,13H,11-12H2,1-2H3