1-(1-ethylcyclopropyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-4-(1,2,3,4-tetrazol-1-ylmethyl)indole-3-carboxylate

Systemtic Name: 1-(1-ethylcyclopropyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-4-(1,2,3,4-tetrazol-1-ylmethyl)indole-3-carboxylate Openeye Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-(phenylsulfanylmethyl)-4-(tetrazol-1-ylmethyl)indole-3-carboxylate CAS Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-[(phenylthio)methyl]-4-(1-tetrazolylmethyl)-3-indolecarboxylate IUPAC Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-(phenylsulfanylmethyl)-4-(tetrazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 1-(1-ethylcyclopropyl)-5-hydroxy-2-[(phenylthio)methyl]-4-(tetrazol-1-ylmethyl)indole-3-carboxylate Formula: C23H22N5O3S- MolecularWeight: 448.51748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC1)N2C3=C(C(=C(C=C3)O)CN4C=NN=N4)C(=C2CSC5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

CCC1(CC1)N2C3=C(C(=C(C=C3)O)CN4C=NN=N4)C(=C2CSC5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C23H23N5O3S/c1-2-23(10-11-23)28-17-8-9-19(29)16(12-27-14-24-25-26-27)20(17)21(22(30)31)18(28)13-32-15-6-4-3-5-7-15/h3-9,14,29H,2,10-13H2,1H3,(H,30,31)/p-1