ethyl 6-bromanyl-1-cyclopropyl-2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-4-(1,2,3,4-tetrazol-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-4-(1,2,3,4-tetrazol-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-(p-tolylsulfanylmethyl)-4-(tetrazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[[(4-methylphenyl)thio]methyl]-4-(1-tetrazolylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-4-(tetrazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(p-tolylthio)methyl]-4-(tetrazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C24H24BrN5O3S MolecularWeight: 542.44806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NN=N3)O)Br)C4CC4)CSC5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=NN=N3)O)Br)C4CC4)CSC5=CC=C(C=C5)C

InChI

InChI=1S/C24H24BrN5O3S/c1-3-33-24(32)22-20(12-34-16-8-4-14(2)5-9-16)30(15-6-7-15)19-10-18(25)23(31)17(21(19)22)11-29-13-26-27-28-29/h4-5,8-10,13,15,31H,3,6-7,11-12H2,1-2H3